(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide

C16H22FN3O2 — CID 119785333

IUPAC(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H22FN3O2/c1-10(2)9-12(18)15(21)19-13-7-8-20(16(13)22)14-6-4-3-5-11(14)17/h3-6,10,12-13H,7-9,18H2,1-2H3,(H,19,21)/t12-,13?/m0/s1
InChIKeyKBSFFHHREOZRPX-UEWDXFNNSA-N
MW307.37 g/mol
LogP1.42
Rot. Bonds5

About (2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide

(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide (PubChem CID 119785333) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
PubChem CID119785333
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H22FN3O2/c1-10(2)9-12(18)15(21)19-13-7-8-20(16(13)22)14-6-4-3-5-11(14)17/h3-6,10,12-13H,7-9,18H2,1-2H3,(H,19,21)/t12-,13?/m0/s1
InChIKeyKBSFFHHREOZRPX-UEWDXFNNSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
(2S)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2-methoxy-2-phenylacetamide
CID 96526165
(2R)-2-amino-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106255828
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
7-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119785281
1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95979904
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride
CID 119710991
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120793260
(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide
CID 119806156
N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide (CID 119785333) is (2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC1CCN(c2ccccc2F)C1=O.
What is the InChIKey of (2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide?
The InChIKey is KBSFFHHREOZRPX-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-10(2)9-12(18)15(21)19-13-7-8-20(16(13)22)14-6-4-3-5-11(14)17/h3-6,10,12-13H,7-9,18H2,1-2H3,(H,19,21)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide?
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide has a molecular weight of 307.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide is sourced from PubChem (CID 119785333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).