2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide

C12H20N2O3 — CID 164850299

IUPAC2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
SMILESCCCC(C(N)=O)[C@@H](C=O)C[C@H]1CCNC1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-10(11(13)16)9(7-15)6-8-4-5-14-12(8)17/h7-10H,2-6H2,1H3,(H2,13,16)(H,14,17)/t8-,9-,10?/m1/s1
InChIKeyPFZNZTIBFJZZCD-MGRQHWMJSA-N
MW240.30 g/mol
LogP0.23
Rot. Bonds7

About 2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide

2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide (PubChem CID 164850299) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide.

Molecular Properties

Compound Name2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
PubChem CID164850299
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
SMILESCCCC(C(N)=O)[C@@H](C=O)C[C@H]1CCNC1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-10(11(13)16)9(7-15)6-8-4-5-14-12(8)17/h7-10H,2-6H2,1H3,(H2,13,16)(H,14,17)/t8-,9-,10?/m1/s1
InChIKeyPFZNZTIBFJZZCD-MGRQHWMJSA-N
XLogP0.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
CID 172806671
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide
CID 162479477
3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one
CID 58593524
(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
CID 167203166
S-[(2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propyl] ethanethioate
CID 163751383
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
CID 171843230
3-(3-amino-2-oxopropyl)pyrrolidin-2-one
CID 118532209
3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide?
The IUPAC name of 2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide (CID 164850299) is 2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide.
What is the SMILES notation for 2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide?
The canonical SMILES for 2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide is CCCC(C(N)=O)[C@@H](C=O)C[C@H]1CCNC1=O.
What is the InChIKey of 2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide?
The InChIKey is PFZNZTIBFJZZCD-MGRQHWMJSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-3-10(11(13)16)9(7-15)6-8-4-5-14-12(8)17/h7-10H,2-6H2,1H3,(H2,13,16)(H,14,17)/t8-,9-,10?/m1/s1.
What are the key properties of 2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide?
2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide has a molecular weight of 240.30 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide is sourced from PubChem (CID 164850299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).