(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide

C16H28N4O3 — CID 94796136

IUPAC(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide
SMILESC[C@H](NC(=O)NCCCN1CCCC1=O)C(=O)NC1CCCC1
InChIInChI=1S/C16H28N4O3/c1-12(15(22)19-13-6-2-3-7-13)18-16(23)17-9-5-11-20-10-4-8-14(20)21/h12-13H,2-11H2,1H3,(H,19,22)(H2,17,18,23)/t12-/m0/s1
InChIKeyLZPGIRHFAAMYGK-LBPRGKRZSA-N
MW324.43 g/mol
LogP0.75
Rot. Bonds7

About (2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide

(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide (PubChem CID 94796136) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide
PubChem CID94796136
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide
SMILESC[C@H](NC(=O)NCCCN1CCCC1=O)C(=O)NC1CCCC1
InChIInChI=1S/C16H28N4O3/c1-12(15(22)19-13-6-2-3-7-13)18-16(23)17-9-5-11-20-10-4-8-14(20)21/h12-13H,2-11H2,1H3,(H,19,22)(H2,17,18,23)/t12-/m0/s1
InChIKeyLZPGIRHFAAMYGK-LBPRGKRZSA-N
XLogP0.75
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide
CID 94782979
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride
CID 119671605
1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 51469803
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 78881606
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
CID 119687909
N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
CID 119262246
(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482285
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671581
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide (CID 94796136) is (2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide is C[C@H](NC(=O)NCCCN1CCCC1=O)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide?
The InChIKey is LZPGIRHFAAMYGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12(15(22)19-13-6-2-3-7-13)18-16(23)17-9-5-11-20-10-4-8-14(20)21/h12-13H,2-11H2,1H3,(H,19,22)(H2,17,18,23)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide?
(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide has a molecular weight of 324.43 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide is sourced from PubChem (CID 94796136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).