[[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide

C20H30N8O3 — CID 165384317

IUPAC[[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide
SMILESCC(C)C[C@@H](C(=O)NN(C#N)C[C@@H]1CCNC1=O)N1CC[C@H](Nc2ccnn2C)C1=O
InChIInChI=1S/C20H30N8O3/c1-13(2)10-16(19(30)25-27(12-21)11-14-4-7-22-18(14)29)28-9-6-15(20(28)31)24-17-5-8-23-26(17)3/h5,8,13-16,24H,4,6-7,9-11H2,1-3H3,(H,22,29)(H,25,30)/t14-,15-,16-/m0/s1
InChIKeyRCEXDLPGJLNBRD-JYJNAYRXSA-N
MW430.51 g/mol
LogP-0.20
Rot. Bonds9

About [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide

[[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide (PubChem CID 165384317) has the molecular formula C20H30N8O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide.

Molecular Properties

Compound Name[[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide
PubChem CID165384317
Molecular FormulaC20H30N8O3
Molecular Weight430.51 g/mol
Exact Mass430.24
IUPAC Name[[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide
SMILESCC(C)C[C@@H](C(=O)NN(C#N)C[C@@H]1CCNC1=O)N1CC[C@H](Nc2ccnn2C)C1=O
InChIInChI=1S/C20H30N8O3/c1-13(2)10-16(19(30)25-27(12-21)11-14-4-7-22-18(14)29)28-9-6-15(20(28)31)24-17-5-8-23-26(17)3/h5,8,13-16,24H,4,6-7,9-11H2,1-3H3,(H,22,29)(H,25,30)/t14-,15-,16-/m0/s1
InChIKeyRCEXDLPGJLNBRD-JYJNAYRXSA-N
XLogP-0.20
TPSA135.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide?
The IUPAC name of [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide (CID 165384317) is [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide.
What is the SMILES notation for [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide?
The canonical SMILES for [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide is CC(C)C[C@@H](C(=O)NN(C#N)C[C@@H]1CCNC1=O)N1CC[C@H](Nc2ccnn2C)C1=O.
What is the InChIKey of [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide?
The InChIKey is RCEXDLPGJLNBRD-JYJNAYRXSA-N. The full InChI is InChI=1S/C20H30N8O3/c1-13(2)10-16(19(30)25-27(12-21)11-14-4-7-22-18(14)29)28-9-6-15(20(28)31)24-17-5-8-23-26(17)3/h5,8,13-16,24H,4,6-7,9-11H2,1-3H3,(H,22,29)(H,25,30)/t14-,15-,16-/m0/s1.
What are the key properties of [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide?
[[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide has a molecular weight of 430.51 g/mol, XLogP of -0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-[[(3S)-2-oxopyrrolidin-3-yl]methyl]cyanamide is sourced from PubChem (CID 165384317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).