4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid

C16H22N2O3 — CID 61195062

IUPAC4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid
SMILESCCN(C(=O)NC(CCC(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-2-18(13-8-9-13)16(21)17-14(10-11-15(19)20)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyBTOSSWCWIWTJHU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.79
Rot. Bonds7

About 4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid

4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid (PubChem CID 61195062) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid
PubChem CID61195062
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid
SMILESCCN(C(=O)NC(CCC(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-2-18(13-8-9-13)16(21)17-14(10-11-15(19)20)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyBTOSSWCWIWTJHU-UHFFFAOYSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61195800
1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
CID 112806156
1-cyclopropyl-1-(3-methylbutyl)-3-(1-phenylbutyl)urea
CID 112832054
4-(2,2-dimethylbutanoylamino)-4-phenylbutanoic acid
CID 62680099
4-(1-cyclopropylethylcarbamoylamino)-4-phenylbutanoic acid
CID 61197747
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
4-(oxane-4-carbonylamino)-4-phenylbutanoic acid
CID 60825347
4-phenyl-4-(spiro[2.2]pentane-2-carbonylamino)butanoic acid
CID 122107417
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid (CID 61195062) is 4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid is CCN(C(=O)NC(CCC(=O)O)c1ccccc1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid?
The InChIKey is BTOSSWCWIWTJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-18(13-8-9-13)16(21)17-14(10-11-15(19)20)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid?
4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 61195062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).