1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid

C15H20N2O3 — CID 114929079

IUPAC1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid
SMILESNC(CCc1ccccc1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H20N2O3/c16-12(8-7-11-5-2-1-3-6-11)13(18)17-15(14(19)20)9-4-10-15/h1-3,5-6,12H,4,7-10,16H2,(H,17,18)(H,19,20)
InChIKeyLMZPMAJWFMDWBP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.07
Rot. Bonds6

About 1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid

1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 114929079) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid
PubChem CID114929079
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid
SMILESNC(CCc1ccccc1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H20N2O3/c16-12(8-7-11-5-2-1-3-6-11)13(18)17-15(14(19)20)9-4-10-15/h1-3,5-6,12H,4,7-10,16H2,(H,17,18)(H,19,20)
InChIKeyLMZPMAJWFMDWBP-UHFFFAOYSA-N
XLogP1.07
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide
CID 104984321
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CID 115292457
1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid
CID 57306510
1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 76894205
N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide
CID 20668330
1-[(2-amino-4-carboxybutanoyl)amino]cycloheptane-1-carboxylic acid
CID 64890106
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
CID 69315148
1-[(2-benzyl-3-sulfanylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 15670224
1-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]cycloheptane-1-carboxylic acid
CID 104908015
(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide
CID 104984736
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid (CID 114929079) is 1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid is NC(CCc1ccccc1)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is LMZPMAJWFMDWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-12(8-7-11-5-2-1-3-6-11)13(18)17-15(14(19)20)9-4-10-15/h1-3,5-6,12H,4,7-10,16H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114929079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).