(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one

C8H12N2O — CID 162695973

IUPAC(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one
SMILESC#C[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C8H12N2O/c1-2-7(9)5-6-3-4-10-8(6)11/h1,6-7H,3-5,9H2,(H,10,11)/t6-,7+/m0/s1
InChIKeyYNARXVRVIBFIGZ-NKWVEPMBSA-N
MW152.20 g/mol
LogP-0.53
Rot. Bonds2

About (3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one

(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one (PubChem CID 162695973) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one
PubChem CID162695973
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one
SMILESC#C[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C8H12N2O/c1-2-7(9)5-6-3-4-10-8(6)11/h1,6-7H,3-5,9H2,(H,10,11)/t6-,7+/m0/s1
InChIKeyYNARXVRVIBFIGZ-NKWVEPMBSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
CID 171843230
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanenitrile;methanesulfonic acid
CID 163323580
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
CID 170008578
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
3-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 77340123
3-(2-oxopyrrolidin-3-yl)propanal
CID 19979689
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
CID 163537974
methyl 2-[[(2S)-2-aminopent-4-ynoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 166744807

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one (CID 162695973) is (3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one is C#C[C@@H](N)C[C@@H]1CCNC1=O.
What is the InChIKey of (3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one?
The InChIKey is YNARXVRVIBFIGZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-7(9)5-6-3-4-10-8(6)11/h1,6-7H,3-5,9H2,(H,10,11)/t6-,7+/m0/s1.
What are the key properties of (3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one?
(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one has a molecular weight of 152.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one is sourced from PubChem (CID 162695973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).