5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride

C15H22ClNO3 — CID 142758048

IUPAC5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride
SMILESCC(C)c1ccc(CC(CC(=O)CN)C(=O)O)cc1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-10(2)12-5-3-11(4-6-12)7-13(15(18)19)8-14(17)9-16;/h3-6,10,13H,7-9,16H2,1-2H3,(H,18,19);1H
InChIKeyVLKMGCBXTLUJLU-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.39
Rot. Bonds7

About 5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride

5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride (PubChem CID 142758048) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride
PubChem CID142758048
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride
SMILESCC(C)c1ccc(CC(CC(=O)CN)C(=O)O)cc1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-10(2)12-5-3-11(4-6-12)7-13(15(18)19)8-14(17)9-16;/h3-6,10,13H,7-9,16H2,1-2H3,(H,18,19);1H
InChIKeyVLKMGCBXTLUJLU-UHFFFAOYSA-N
XLogP2.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329583
(2S)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329580
(2S,5R)-2-benzyl-5-methyl-4-oxo-6-phenylhexanoic acid
CID 71031571
1-amino-4-(4-propan-2-ylphenyl)butan-2-one
CID 95439232
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 39241972
3-[4-(aminomethyl)phenyl]-2-methylpropanoic acid;hydrochloride
CID 139945600
3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid
CID 53417419
(2S)-2-methyl-3-(4-propan-2-ylphenyl)propanoate
CID 6956821
2-[(4-butan-2-ylphenyl)methyl]butanoic acid
CID 116930604
2-amino-3-(4-propan-2-ylphenyl)propanamide
CID 64990650
(2S)-2-[(4-chlorophenyl)methyl]butanedioic acid
CID 911262
(2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 170897457

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride?
The IUPAC name of 5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride (CID 142758048) is 5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride.
What is the SMILES notation for 5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride?
The canonical SMILES for 5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride is CC(C)c1ccc(CC(CC(=O)CN)C(=O)O)cc1.Cl.
What is the InChIKey of 5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride?
The InChIKey is VLKMGCBXTLUJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-10(2)12-5-3-11(4-6-12)7-13(15(18)19)8-14(17)9-16;/h3-6,10,13H,7-9,16H2,1-2H3,(H,18,19);1H.
What are the key properties of 5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride?
5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride is sourced from PubChem (CID 142758048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).