2-(1-cyclopropylethylcarbamoylamino)pentanoic acid

C11H20N2O3 — CID 61198675

IUPAC2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NC(C)C1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-4-9(10(14)15)13-11(16)12-7(2)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyZDOGYTDDCUIVOH-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.34
Rot. Bonds6

About 2-(1-cyclopropylethylcarbamoylamino)pentanoic acid

2-(1-cyclopropylethylcarbamoylamino)pentanoic acid (PubChem CID 61198675) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(1-cyclopropylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
PubChem CID61198675
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NC(C)C1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-4-9(10(14)15)13-11(16)12-7(2)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyZDOGYTDDCUIVOH-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
CID 61230073
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570
N-[(1S)-1-cyclopropylethyl]-2-methylpentanamide
CID 161003325
(2S)-2-(1-cyclohexylethylcarbamoylamino)pentanedioic acid
CID 62406533
2-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83147334
(2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid
CID 107565970
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
CID 104871392
(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 104871385
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid
CID 120534692
2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
CID 61480513

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(1-cyclopropylethylcarbamoylamino)pentanoic acid (CID 61198675) is 2-(1-cyclopropylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(1-cyclopropylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(1-cyclopropylethylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NC(C)C1CC1)C(=O)O.
What is the InChIKey of 2-(1-cyclopropylethylcarbamoylamino)pentanoic acid?
The InChIKey is ZDOGYTDDCUIVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-4-9(10(14)15)13-11(16)12-7(2)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(1-cyclopropylethylcarbamoylamino)pentanoic acid?
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61198675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).