2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid

C11H20N2O3 — CID 61196558

IUPAC2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(CC)C1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-5-9(10(14)15)12-11(16)13(4-2)8-6-7-8/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyXLGPCZWDJDQFIR-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.43
Rot. Bonds6

About 2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid

2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid (PubChem CID 61196558) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
PubChem CID61196558
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(CC)C1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-5-9(10(14)15)12-11(16)13(4-2)8-6-7-8/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyXLGPCZWDJDQFIR-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
CID 107567101
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976157
4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61194306
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909830
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
2-[[ethyl(piperidin-4-yl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61407947

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid (CID 61196558) is 2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid is CCCC(NC(=O)N(CC)C1CC1)C(=O)O.
What is the InChIKey of 2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is XLGPCZWDJDQFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-5-9(10(14)15)12-11(16)13(4-2)8-6-7-8/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid?
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 61196558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).