(2S)-2-acetamido-7-phenylheptanoic acid

C15H21NO3 — CID 129362724

IUPAC(2S)-2-acetamido-7-phenylheptanoic acid
SMILESCC(=O)N[C@@H](CCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-12(17)16-14(15(18)19)11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1
InChIKeyDWAJUSRWLRLLLU-AWEZNQCLSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds8

About (2S)-2-acetamido-7-phenylheptanoic acid

(2S)-2-acetamido-7-phenylheptanoic acid (PubChem CID 129362724) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-2-acetamido-7-phenylheptanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-7-phenylheptanoic acid
PubChem CID129362724
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2S)-2-acetamido-7-phenylheptanoic acid
SMILESCC(=O)N[C@@H](CCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-12(17)16-14(15(18)19)11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1
InChIKeyDWAJUSRWLRLLLU-AWEZNQCLSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-acetamido-3-(3-phenylpropylsulfanyl)propanoic acid
CID 107774425
(2S)-2-(8-phenyloctanoylamino)pentanoic acid
CID 67898131
2-formamido-6-phenylhexanoic acid
CID 114333732
2-(8-phenyloctyl)propanedioic acid
CID 20544236
2-acetamidotetracosanoic acid
CID 13224380
2-acetamido-4-phenylbutanamide
CID 67451841
(2S)-2-acetamido-4-phenylbutanoate
CID 86308206
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023
(2S)-2-acetamido-4-phenylmethoxybutanoic acid
CID 129322933
(2S)-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 14390812
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
2-acetamido-3-(4-phenylbutylcarbamothioylsulfanyl)propanoic acid
CID 25180078

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-7-phenylheptanoic acid?
The IUPAC name of (2S)-2-acetamido-7-phenylheptanoic acid (CID 129362724) is (2S)-2-acetamido-7-phenylheptanoic acid.
What is the SMILES notation for (2S)-2-acetamido-7-phenylheptanoic acid?
The canonical SMILES for (2S)-2-acetamido-7-phenylheptanoic acid is CC(=O)N[C@@H](CCCCCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-7-phenylheptanoic acid?
The InChIKey is DWAJUSRWLRLLLU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(17)16-14(15(18)19)11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-acetamido-7-phenylheptanoic acid?
(2S)-2-acetamido-7-phenylheptanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-7-phenylheptanoic acid is sourced from PubChem (CID 129362724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).