3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid

C16H21NO3 — CID 82325252

IUPAC3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)CCc1ccccc1)C1CC1)C(=O)O
InChIInChI=1S/C16H21NO3/c1-12(16(19)20)11-17(14-8-9-14)15(18)10-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,19,20)
InChIKeyQXHLBRPJASNIFF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.33
Rot. Bonds7

About 3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid

3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid (PubChem CID 82325252) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
PubChem CID82325252
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)CCc1ccccc1)C1CC1)C(=O)O
InChIInChI=1S/C16H21NO3/c1-12(16(19)20)11-17(14-8-9-14)15(18)10-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,19,20)
InChIKeyQXHLBRPJASNIFF-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801
(2R)-3-[cyclopropyl-[4-oxo-4-[[(2S)-1-oxo-1-phenylpropan-2-yl]amino]butanoyl]amino]-2-methylpropanoic acid
CID 97338824
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
CID 95539585
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide
CID 54996606
3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid
CID 82323439
2-methyl-4-phenylbutanoic acid
CID 66896591
3-[cyclopropyl(4-propan-2-yloxybutanoyl)amino]-2-methylpropanoic acid
CID 120689469
(2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid
CID 99851760
3-[cyclopropyl-(2-methylsulfanylbenzoyl)amino]-2-methylpropanoic acid
CID 120977103
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid (CID 82325252) is 3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid is CC(CN(C(=O)CCc1ccccc1)C1CC1)C(=O)O.
What is the InChIKey of 3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid?
The InChIKey is QXHLBRPJASNIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(16(19)20)11-17(14-8-9-14)15(18)10-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,19,20).
What are the key properties of 3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid?
3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82325252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).