2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid

C10H18N2O4 — CID 61230073

IUPAC2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
SMILESCC(NC(=O)NC(CCO)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-6(7-2-3-7)11-10(16)12-8(4-5-13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyPTEDFWVWQOTLCE-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.08
Rot. Bonds6

About 2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid

2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid (PubChem CID 61230073) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
PubChem CID61230073
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
SMILESCC(NC(=O)NC(CCO)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-6(7-2-3-7)11-10(16)12-8(4-5-13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyPTEDFWVWQOTLCE-UHFFFAOYSA-N
XLogP-0.08
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 107829262
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570
(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 104871385
(2S)-2-(1-cyclohexylethylcarbamoylamino)pentanedioic acid
CID 62406533
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
CID 104871392
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
4-(1-cyclopropylethylcarbamoylamino)-2-methylbutanoic acid
CID 80540831
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757
4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 55173209

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid?
The IUPAC name of 2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid (CID 61230073) is 2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for 2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid?
The canonical SMILES for 2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid is CC(NC(=O)NC(CCO)C(=O)O)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid?
The InChIKey is PTEDFWVWQOTLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(7-2-3-7)11-10(16)12-8(4-5-13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid?
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 61230073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).