(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid

C11H18N2O5 — CID 104871392

IUPAC(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
SMILESCC(NC(=O)N[C@H](CC(=O)O)C(=O)O)C1CCC1
InChIInChI=1S/C11H18N2O5/c1-6(7-3-2-4-7)12-11(18)13-8(10(16)17)5-9(14)15/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17)(H2,12,13,18)/t6?,8-/m1/s1
InChIKeyUFKJPJBYILXUON-QFSRMBNQSA-N
MW258.27 g/mol
LogP0.40
Rot. Bonds6

About (2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid

(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid (PubChem CID 104871392) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
PubChem CID104871392
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
SMILESCC(NC(=O)N[C@H](CC(=O)O)C(=O)O)C1CCC1
InChIInChI=1S/C11H18N2O5/c1-6(7-3-2-4-7)12-11(18)13-8(10(16)17)5-9(14)15/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17)(H2,12,13,18)/t6?,8-/m1/s1
InChIKeyUFKJPJBYILXUON-QFSRMBNQSA-N
XLogP0.40
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 104871385
(2S)-2-(1-cyclohexylethylcarbamoylamino)pentanedioic acid
CID 62406533
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
CID 61230073
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid
CID 104871393
3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid
CID 64701514
(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
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid?
The IUPAC name of (2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid (CID 104871392) is (2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid.
What is the SMILES notation for (2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid?
The canonical SMILES for (2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid is CC(NC(=O)N[C@H](CC(=O)O)C(=O)O)C1CCC1.
What is the InChIKey of (2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid?
The InChIKey is UFKJPJBYILXUON-QFSRMBNQSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-6(7-3-2-4-7)12-11(18)13-8(10(16)17)5-9(14)15/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17)(H2,12,13,18)/t6?,8-/m1/s1.
What are the key properties of (2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid?
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid has a molecular weight of 258.27 g/mol, XLogP of 0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid is sourced from PubChem (CID 104871392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).