3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid

C15H20N2O3 — CID 61195800

IUPAC3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
SMILESCCN(C(=O)NC(CC(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-17(12-8-9-12)15(20)16-13(10-14(18)19)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyCHVLZDUOGNAQHF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds6

About 3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid

3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid (PubChem CID 61195800) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
PubChem CID61195800
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
SMILESCCN(C(=O)NC(CC(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-17(12-8-9-12)15(20)16-13(10-14(18)19)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyCHVLZDUOGNAQHF-UHFFFAOYSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid
CID 61195062
1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
CID 112806156
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
1-cyclopropyl-1-(3-methylbutyl)-3-(1-phenylbutyl)urea
CID 112832054
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052
1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea
CID 86881053
1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103837096
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid (CID 61195800) is 3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid is CCN(C(=O)NC(CC(=O)O)c1ccccc1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid?
The InChIKey is CHVLZDUOGNAQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-17(12-8-9-12)15(20)16-13(10-14(18)19)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid?
3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 61195800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).