4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid

C13H24N2O4 — CID 114227148

IUPAC4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid
SMILESCCCN(C(=O)NCC(CC(=O)O)OCC)C1CC1
InChIInChI=1S/C13H24N2O4/c1-3-7-15(10-5-6-10)13(18)14-9-11(19-4-2)8-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMZGCROHULJMSTH-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds9

About 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid

4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid (PubChem CID 114227148) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid
PubChem CID114227148
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid
SMILESCCCN(C(=O)NCC(CC(=O)O)OCC)C1CC1
InChIInChI=1S/C13H24N2O4/c1-3-7-15(10-5-6-10)13(18)14-9-11(19-4-2)8-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMZGCROHULJMSTH-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160140
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069043
ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate
CID 43445694
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001609
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
4-(2-aminopentanoylamino)-3-ethoxybutanoic acid
CID 114227038
(2S)-2-hydroxy-3-[[piperidin-4-yl(propyl)carbamoyl]amino]propanoic acid
CID 107838747
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158823
2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223685
3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069382

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid?
The IUPAC name of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid (CID 114227148) is 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid.
What is the SMILES notation for 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid?
The canonical SMILES for 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid is CCCN(C(=O)NCC(CC(=O)O)OCC)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid?
The InChIKey is MZGCROHULJMSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-7-15(10-5-6-10)13(18)14-9-11(19-4-2)8-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid?
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid is sourced from PubChem (CID 114227148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).