(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride

C13H18ClNO3 — CID 67808687

IUPAC(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)CCCC(=O)O
InChIInChI=1S/C13H17NO3.ClH/c14-11(9-10-5-2-1-3-6-10)12(15)7-4-8-13(16)17;/h1-3,5-6,11H,4,7-9,14H2,(H,16,17);1H/t11-;/m0./s1
InChIKeyFFUINULDXZAYHD-MERQFXBCSA-N
MW271.74 g/mol
LogP1.80
Rot. Bonds7

About (6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride

(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride (PubChem CID 67808687) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is (6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride.

Molecular Properties

Compound Name(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride
PubChem CID67808687
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)CCCC(=O)O
InChIInChI=1S/C13H17NO3.ClH/c14-11(9-10-5-2-1-3-6-10)12(15)7-4-8-13(16)17;/h1-3,5-6,11H,4,7-9,14H2,(H,16,17);1H/t11-;/m0./s1
InChIKeyFFUINULDXZAYHD-MERQFXBCSA-N
XLogP1.80
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-phenylheptan-3-one;hydrochloride
CID 142731464
(2S)-2-amino-3-phenylpropanoic acid;hexanedioic acid
CID 90108351
2-amino-1-phenyldecan-3-one;hydrochloride
CID 3073894
(2S,7S)-7-amino-2-benzyl-6-oxo-8-phenyloctanoic acid
CID 163793587
4-[(2R)-2-amino-3-phenylpropanoyl]oxybutanoic acid
CID 174208096
(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane
CID 143599875
3-amino-1,4-diphenylbutan-2-one
CID 20792391
(3S)-1,3-diamino-4-phenylbutan-2-one
CID 69216452
(2S)-2-amino-3-phenylpropanoic acid;decanoic acid
CID 121267394
(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride
CID 67808775
[(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid
CID 70545488
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid
CID 169084038

Frequently Asked Questions

What is the IUPAC name of (6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride?
The IUPAC name of (6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride (CID 67808687) is (6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride.
What is the SMILES notation for (6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride?
The canonical SMILES for (6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)CCCC(=O)O.
What is the InChIKey of (6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride?
The InChIKey is FFUINULDXZAYHD-MERQFXBCSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c14-11(9-10-5-2-1-3-6-10)12(15)7-4-8-13(16)17;/h1-3,5-6,11H,4,7-9,14H2,(H,16,17);1H/t11-;/m0./s1.
What are the key properties of (6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride?
(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride is sourced from PubChem (CID 67808687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).