2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid

C20H25NO2 — CID 174600110

IUPAC2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid
SMILESCCCCCC(N)(Cc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C20H25NO2/c1-2-3-9-14-20(21,19(22)23)15-17-12-7-8-13-18(17)16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14-15,21H2,1H3,(H,22,23)
InChIKeyBUVYDNAXBVQENU-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.26
Rot. Bonds8

About 2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid

2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid (PubChem CID 174600110) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid.

Molecular Properties

Compound Name2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid
PubChem CID174600110
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid
SMILESCCCCCC(N)(Cc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C20H25NO2/c1-2-3-9-14-20(21,19(22)23)15-17-12-7-8-13-18(17)16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14-15,21H2,1H3,(H,22,23)
InChIKeyBUVYDNAXBVQENU-UHFFFAOYSA-N
XLogP4.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.26
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-2-(1H-indol-3-ylmethyl)octanoic acid;dihydrochloride
CID 174428555
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
2-amino-2-octadecylicosanoic acid
CID 18935913
dodecyl 2-(2-phenylphenyl)acetate
CID 54053058
2-amino-2-benzylpentanoic acid
CID 24974249
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398
gold;1-pentyl-2-phenylbenzene
CID 174945702
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
2-amino-2-(2-phenylethyl)heptanamide
CID 18682968

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid?
The IUPAC name of 2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid (CID 174600110) is 2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid.
What is the SMILES notation for 2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid?
The canonical SMILES for 2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid is CCCCCC(N)(Cc1ccccc1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid?
The InChIKey is BUVYDNAXBVQENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-3-9-14-20(21,19(22)23)15-17-12-7-8-13-18(17)16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14-15,21H2,1H3,(H,22,23).
What are the key properties of 2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid?
2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid has a molecular weight of 311.43 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid is sourced from PubChem (CID 174600110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).