3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid

C16H22N2O3 — CID 62826816

IUPAC3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)NC1CC1c1ccccc1)C(C)CC(=O)O
InChIInChI=1S/C16H22N2O3/c1-3-18(11(2)9-15(19)20)16(21)17-14-10-13(14)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySOHGMHYFBQJCKP-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.44
Rot. Bonds6

About 3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid

3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid (PubChem CID 62826816) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid
PubChem CID62826816
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)NC1CC1c1ccccc1)C(C)CC(=O)O
InChIInChI=1S/C16H22N2O3/c1-3-18(11(2)9-15(19)20)16(21)17-14-10-13(14)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySOHGMHYFBQJCKP-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-ethyl-3-[(1S,2S)-2-phenylcyclopropyl]urea
CID 97028256
3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid
CID 81066840
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid
CID 64916232
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
1-(cyanomethyl)-1-methyl-3-(2-phenylcyclopropyl)urea
CID 3689046
3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid
CID 104592016
2-amino-3-methyl-N-(2-phenylcyclopropyl)pentanamide;hydrochloride
CID 119709457
(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
CID 107566679

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid (CID 62826816) is 3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid is CCN(C(=O)NC1CC1c1ccccc1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid?
The InChIKey is SOHGMHYFBQJCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-18(11(2)9-15(19)20)16(21)17-14-10-13(14)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid?
3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 62826816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).