(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride

C17H26ClN3O2 — CID 119694543

IUPAC(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(2)10-15(18)17(22)19-11-13-5-7-14(8-6-13)20-9-3-4-16(20)21;/h5-8,12,15H,3-4,9-11,18H2,1-2H3,(H,19,22);1H/t15-;/m0./s1
InChIKeyDXBIOVTWXCPEDP-RSAXXLAASA-N
MW339.87 g/mol
LogP2.22
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride (PubChem CID 119694543) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
PubChem CID119694543
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(2)10-15(18)17(22)19-11-13-5-7-14(8-6-13)20-9-3-4-16(20)21;/h5-8,12,15H,3-4,9-11,18H2,1-2H3,(H,19,22);1H/t15-;/m0./s1
InChIKeyDXBIOVTWXCPEDP-RSAXXLAASA-N
XLogP2.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pentan-2-yl]benzamide
CID 8589123
(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide
CID 8589059
3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 119694486
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544713
(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
CID 119756026
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 131906571
N-butan-2-yl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 51127537

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride (CID 119694543) is (2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCc1ccc(N2CCCC2=O)cc1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride?
The InChIKey is DXBIOVTWXCPEDP-RSAXXLAASA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12(2)10-15(18)17(22)19-11-13-5-7-14(8-6-13)20-9-3-4-16(20)21;/h5-8,12,15H,3-4,9-11,18H2,1-2H3,(H,19,22);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119694543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).