(2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride

C19H30ClN3O2 — CID 119749397

IUPAC(2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)13-17(20)19(24)21-16-8-5-15(6-9-16)7-10-18(23)22-11-3-4-12-22;/h5-6,8-9,14,17H,3-4,7,10-13,20H2,1-2H3,(H,21,24);1H/t17-;/m0./s1
InChIKeyPJLBJVSNOUHVBA-LMOVPXPDSA-N
MW367.92 g/mol
LogP2.98
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride (PubChem CID 119749397) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride
PubChem CID119749397
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name(2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)13-17(20)19(24)21-16-8-5-15(6-9-16)7-10-18(23)22-11-3-4-12-22;/h5-6,8-9,14,17H,3-4,7,10-13,20H2,1-2H3,(H,21,24);1H/t17-;/m0./s1
InChIKeyPJLBJVSNOUHVBA-LMOVPXPDSA-N
XLogP2.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
CID 119303606
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119303616
2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119303626
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
(2S)-2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119776951
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609116
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60577432

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride (CID 119749397) is (2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride?
The InChIKey is PJLBJVSNOUHVBA-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14(2)13-17(20)19(24)21-16-8-5-15(6-9-16)7-10-18(23)22-11-3-4-12-22;/h5-6,8-9,14,17H,3-4,7,10-13,20H2,1-2H3,(H,21,24);1H/t17-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.98, 7 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-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119749397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).