(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid

C10H18N2O4 — CID 104871385

IUPAC(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
SMILESCC(NC(=O)N[C@@H](CO)C(=O)O)C1CCC1
InChIInChI=1S/C10H18N2O4/c1-6(7-3-2-4-7)11-10(16)12-8(5-13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,8-/m0/s1
InChIKeyFNNNTWZTSGVQJY-XDKWHASVSA-N
MW230.26 g/mol
LogP-0.08
Rot. Bonds5

About (2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid

(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid (PubChem CID 104871385) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
PubChem CID104871385
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
SMILESCC(NC(=O)N[C@@H](CO)C(=O)O)C1CCC1
InChIInChI=1S/C10H18N2O4/c1-6(7-3-2-4-7)11-10(16)12-8(5-13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,8-/m0/s1
InChIKeyFNNNTWZTSGVQJY-XDKWHASVSA-N
XLogP-0.08
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
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

(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
CID 104871392
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
CID 61230073
(2S)-2-(1-cyclohexylethylcarbamoylamino)pentanedioic acid
CID 62406533
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid
CID 104871393
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
2-[1-(oxan-4-yl)ethylcarbamoylamino]pent-4-ynoic acid
CID 114115293
(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 107829262
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid (CID 104871385) is (2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid is CC(NC(=O)N[C@@H](CO)C(=O)O)C1CCC1.
What is the InChIKey of (2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid?
The InChIKey is FNNNTWZTSGVQJY-XDKWHASVSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(7-3-2-4-7)11-10(16)12-8(5-13)9(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)(H2,11,12,16)/t6?,8-/m0/s1.
What are the key properties of (2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid?
(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 104871385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).