(2R)-2-amino-7-(4-methylphenyl)heptanoic acid

C14H21NO2 — CID 155670069

IUPAC(2R)-2-amino-7-(4-methylphenyl)heptanoic acid
SMILESCc1ccc(CCCCC[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-11-7-9-12(10-8-11)5-3-2-4-6-13(15)14(16)17/h7-10,13H,2-6,15H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyMBRKXJJIRPFZNA-CYBMUJFWSA-N
MW235.33 g/mol
LogP2.51
Rot. Bonds7

About (2R)-2-amino-7-(4-methylphenyl)heptanoic acid

(2R)-2-amino-7-(4-methylphenyl)heptanoic acid (PubChem CID 155670069) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-2-amino-7-(4-methylphenyl)heptanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-7-(4-methylphenyl)heptanoic acid
PubChem CID155670069
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2R)-2-amino-7-(4-methylphenyl)heptanoic acid
SMILESCc1ccc(CCCCC[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-11-7-9-12(10-8-11)5-3-2-4-6-13(15)14(16)17/h7-10,13H,2-6,15H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyMBRKXJJIRPFZNA-CYBMUJFWSA-N
XLogP2.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.51
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

2-amino-7-phenylheptanoic acid
CID 85132413
2-ethyl-7-(4-methylphenyl)heptanoic acid
CID 67371360
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
2-amino-5-(4-bromophenyl)pentanoic acid
CID 83664406
2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
(2S)-2-amino-11-(4-iodophenyl)-8-oxoundecanoic acid
CID 159354089
2-amino-3-(4-heptylphenyl)propanoic acid
CID 170879327
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
10-(4-methylphenyl)decanoic acid
CID 54262490
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
2-amino-5-(4-ethylsulfanylphenyl)pentanoic acid
CID 115005516
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]butanoic acid
CID 115241256

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-7-(4-methylphenyl)heptanoic acid?
The IUPAC name of (2R)-2-amino-7-(4-methylphenyl)heptanoic acid (CID 155670069) is (2R)-2-amino-7-(4-methylphenyl)heptanoic acid.
What is the SMILES notation for (2R)-2-amino-7-(4-methylphenyl)heptanoic acid?
The canonical SMILES for (2R)-2-amino-7-(4-methylphenyl)heptanoic acid is Cc1ccc(CCCCC[C@@H](N)C(=O)O)cc1.
What is the InChIKey of (2R)-2-amino-7-(4-methylphenyl)heptanoic acid?
The InChIKey is MBRKXJJIRPFZNA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-7-9-12(10-8-11)5-3-2-4-6-13(15)14(16)17/h7-10,13H,2-6,15H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-7-(4-methylphenyl)heptanoic acid?
(2R)-2-amino-7-(4-methylphenyl)heptanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-7-(4-methylphenyl)heptanoic acid is sourced from PubChem (CID 155670069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).