N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide

C12H20N4O3 — CID 10423162

IUPACN-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)CN1CC[C@H](NC(=O)C2CCCN2)CC1=O
InChIInChI=1S/C12H20N4O3/c13-10(17)7-16-5-3-8(6-11(16)18)15-12(19)9-2-1-4-14-9/h8-9,14H,1-7H2,(H2,13,17)(H,15,19)/t8-,9?/m0/s1
InChIKeyFAHKMLHZHXRLSZ-IENPIDJESA-N
MW268.32 g/mol
LogP-1.67
Rot. Bonds4

About N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide

N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 10423162) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID10423162
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)CN1CC[C@H](NC(=O)C2CCCN2)CC1=O
InChIInChI=1S/C12H20N4O3/c13-10(17)7-16-5-3-8(6-11(16)18)15-12(19)9-2-1-4-14-9/h8-9,14H,1-7H2,(H2,13,17)(H,15,19)/t8-,9?/m0/s1
InChIKeyFAHKMLHZHXRLSZ-IENPIDJESA-N
XLogP-1.67
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 10083650
(2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 103813420
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide
CID 64564001
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119343394
(2R)-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 93469163
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152785
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073
(2R)-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 103796815
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119864828

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide (CID 10423162) is N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)CN1CC[C@H](NC(=O)C2CCCN2)CC1=O.
What is the InChIKey of N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is FAHKMLHZHXRLSZ-IENPIDJESA-N. The full InChI is InChI=1S/C12H20N4O3/c13-10(17)7-16-5-3-8(6-11(16)18)15-12(19)9-2-1-4-14-9/h8-9,14H,1-7H2,(H2,13,17)(H,15,19)/t8-,9?/m0/s1.
What are the key properties of N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide?
N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10423162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).