3-(3-amino-2-oxopropyl)pyrrolidin-2-one

C7H12N2O2 — CID 118532209

IUPAC3-(3-amino-2-oxopropyl)pyrrolidin-2-one
SMILESNCC(=O)CC1CCNC1=O
InChIInChI=1S/C7H12N2O2/c8-4-6(10)3-5-1-2-9-7(5)11/h5H,1-4,8H2,(H,9,11)
InChIKeyUMIRKZRBUAYUJX-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.96
Rot. Bonds3

About 3-(3-amino-2-oxopropyl)pyrrolidin-2-one

3-(3-amino-2-oxopropyl)pyrrolidin-2-one (PubChem CID 118532209) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-(3-amino-2-oxopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-amino-2-oxopropyl)pyrrolidin-2-one
PubChem CID118532209
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-(3-amino-2-oxopropyl)pyrrolidin-2-one
SMILESNCC(=O)CC1CCNC1=O
InChIInChI=1S/C7H12N2O2/c8-4-6(10)3-5-1-2-9-7(5)11/h5H,1-4,8H2,(H,9,11)
InChIKeyUMIRKZRBUAYUJX-UHFFFAOYSA-N
XLogP-0.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-amino-2-oxopropyl)-methylamino]methyl]pyrrolidin-2-one
CID 165399319
3-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 77340123
3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318
3-aminopyrrolidin-2-one
CID 158709416
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
CID 167203166
(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
CID 129360656
3-(iodomethyl)pyrrolidin-2-one
CID 90057877
3-(3-oxobutyl)pyrrolidin-2-one
CID 82416368
3-(2-oxopyrrolidin-3-yl)propanal
CID 19979689
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-oxopropyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-amino-2-oxopropyl)pyrrolidin-2-one (CID 118532209) is 3-(3-amino-2-oxopropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-amino-2-oxopropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-amino-2-oxopropyl)pyrrolidin-2-one is NCC(=O)CC1CCNC1=O.
What is the InChIKey of 3-(3-amino-2-oxopropyl)pyrrolidin-2-one?
The InChIKey is UMIRKZRBUAYUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-4-6(10)3-5-1-2-9-7(5)11/h5H,1-4,8H2,(H,9,11).
What are the key properties of 3-(3-amino-2-oxopropyl)pyrrolidin-2-one?
3-(3-amino-2-oxopropyl)pyrrolidin-2-one has a molecular weight of 156.18 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-oxopropyl)pyrrolidin-2-one is sourced from PubChem (CID 118532209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).