(2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide

C25H31N5O6 — CID 134139812

IUPAC(2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NC(=O)c1cccc2c1CCCC2
InChIInChI=1S/C25H31N5O6/c26-20(31)13-18(28-23(34)17-10-11-21(32)27-17)25(36)30-12-4-9-19(30)24(35)29-22(33)16-8-3-6-14-5-1-2-7-15(14)16/h3,6,8,17-19H,1-2,4-5,7,9-13H2,(H2,26,31)(H,27,32)(H,28,34)(H,29,33,35)/t17-,18-,19-/m0/s1
InChIKeyRBTUHOLHVPXABY-FHWLQOOXSA-N
MW497.55 g/mol
LogP-0.55
Rot. Bonds7

About (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 134139812) has the molecular formula C25H31N5O6 and a molecular weight of 497.55 g/mol. Its IUPAC name is (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID134139812
Molecular FormulaC25H31N5O6
Molecular Weight497.55 g/mol
Exact Mass497.23
IUPAC Name(2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NC(=O)c1cccc2c1CCCC2
InChIInChI=1S/C25H31N5O6/c26-20(31)13-18(28-23(34)17-10-11-21(32)27-17)25(36)30-12-4-9-19(30)24(35)29-22(33)16-8-3-6-14-5-1-2-7-15(14)16/h3,6,8,17-19H,1-2,4-5,7,9-13H2,(H2,26,31)(H,27,32)(H,28,34)(H,29,33,35)/t17-,18-,19-/m0/s1
InChIKeyRBTUHOLHVPXABY-FHWLQOOXSA-N
XLogP-0.55
TPSA167.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
(R)-Thalidomide
CID 75792
Cc-11006
CID 10155135
2-(2,5-Dioxo-3-pyrrolidinyl)-1H-isoindole-1,3(2H)-dione
CID 72830
N-{[(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidin-2-yl]methyl}naphthalene-1-carboxamide
CID 25218683
(R)-N-isopropyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 45487774
2-(Pyrrolidine-3-carbonyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 24771959
2-isopropyl-3-oxo-N-(2-phenylethyl)isoindoline-1-carboxamide
CID 4116921
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide
CID 25163224
N-(2-cyclohex-1-en-1-ylethyl)-2-cyclohexyl-3-oxoisoindoline-4-carboxamide
CID 16194355
N-(2-cyclohex-1-en-1-ylethyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
CID 3239503

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 134139812) is (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide is NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NC(=O)c1cccc2c1CCCC2.
What is the InChIKey of (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RBTUHOLHVPXABY-FHWLQOOXSA-N. The full InChI is InChI=1S/C25H31N5O6/c26-20(31)13-18(28-23(34)17-10-11-21(32)27-17)25(36)30-12-4-9-19(30)24(35)29-22(33)16-8-3-6-14-5-1-2-7-15(14)16/h3,6,8,17-19H,1-2,4-5,7,9-13H2,(H2,26,31)(H,27,32)(H,28,34)(H,29,33,35)/t17-,18-,19-/m0/s1.
What are the key properties of (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 497.55 g/mol, XLogP of -0.55, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-4-amino-1,4-dioxo-1-[(2S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 134139812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).