2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride

C15H23Cl2N3O2 — CID 119820004

IUPAC2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H22ClN3O2.ClH/c1-3-9(2)14(18)15(21)19-12(8-13(17)20)10-5-4-6-11(16)7-10;/h4-7,9,12,14H,3,8,18H2,1-2H3,(H2,17,20)(H,19,21);1H/t9?,12-,14?;/m1./s1
InChIKeyBPLDFCJHFHFNBS-YAOCCHICSA-N
MW348.27 g/mol
LogP2.17
Rot. Bonds7

About 2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride

2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride (PubChem CID 119820004) has the molecular formula C15H23Cl2N3O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride
PubChem CID119820004
Molecular FormulaC15H23Cl2N3O2
Molecular Weight348.27 g/mol
Exact Mass347.12
IUPAC Name2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H22ClN3O2.ClH/c1-3-9(2)14(18)15(21)19-12(8-13(17)20)10-5-4-6-11(16)7-10;/h4-7,9,12,14H,3,8,18H2,1-2H3,(H2,17,20)(H,19,21);1H/t9?,12-,14?;/m1./s1
InChIKeyBPLDFCJHFHFNBS-YAOCCHICSA-N
XLogP2.17
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3,3-dimethylbutanamide;hydrochloride
CID 119819992
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
ethyl 3-(2-aminooxypropanoylamino)-3-(3-chlorophenyl)propanoate
CID 167929050
2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
(2S,3S)-2-amino-3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61178738

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride (CID 119820004) is 2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride?
The InChIKey is BPLDFCJHFHFNBS-YAOCCHICSA-N. The full InChI is InChI=1S/C15H22ClN3O2.ClH/c1-3-9(2)14(18)15(21)19-12(8-13(17)20)10-5-4-6-11(16)7-10;/h4-7,9,12,14H,3,8,18H2,1-2H3,(H2,17,20)(H,19,21);1H/t9?,12-,14?;/m1./s1.
What are the key properties of 2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride has a molecular weight of 348.27 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119820004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).