2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid

C16H23NO3 — CID 61021604

IUPAC2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
SMILESCCC(C)C(C(=O)N(CC)CC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-12(3)15(13-9-7-6-8-10-13)16(20)17(5-2)11-14(18)19/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyRJBOUYJYDURZDI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.75
Rot. Bonds7

About 2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid

2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid (PubChem CID 61021604) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
PubChem CID61021604
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
SMILESCCC(C)C(C(=O)N(CC)CC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-12(3)15(13-9-7-6-8-10-13)16(20)17(5-2)11-14(18)19/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyRJBOUYJYDURZDI-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid
CID 120519831
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
N-(2-hydroxypropyl)-N,3-dimethyl-2-phenylpentanamide
CID 62335322
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide
CID 80658652
2-[ethyl(3-phenylpentanoyl)amino]acetic acid
CID 119206232
2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid
CID 119206542
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide
CID 102867408
N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide
CID 107205692
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid (CID 61021604) is 2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid is CCC(C)C(C(=O)N(CC)CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid?
The InChIKey is RJBOUYJYDURZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-12(3)15(13-9-7-6-8-10-13)16(20)17(5-2)11-14(18)19/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,19).
What are the key properties of 2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid?
2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid is sourced from PubChem (CID 61021604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).