(2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid

C11H19N3O5 — CID 114005749

IUPAC(2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
SMILESCC1(CNC(=O)N[C@H](CC(N)=O)C(=O)O)CCCO1
InChIInChI=1S/C11H19N3O5/c1-11(3-2-4-19-11)6-13-10(18)14-7(9(16)17)5-8(12)15/h7H,2-6H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t7-,11?/m1/s1
InChIKeyOKZVHJAVNWLHDD-DKSCNQEISA-N
MW273.29 g/mol
LogP-0.82
Rot. Bonds6

About (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid

(2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 114005749) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
PubChem CID114005749
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
SMILESCC1(CNC(=O)N[C@H](CC(N)=O)C(=O)O)CCCO1
InChIInChI=1S/C11H19N3O5/c1-11(3-2-4-19-11)6-13-10(18)14-7(9(16)17)5-8(12)15/h7H,2-6H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t7-,11?/m1/s1
InChIKeyOKZVHJAVNWLHDD-DKSCNQEISA-N
XLogP-0.82
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-[[(2S)-5-oxooxolan-2-yl]methylamino]butanoic acid
CID 68274965
3-Methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 3352161
4-Methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 4037281
(2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]butanoic acid
CID 7529595
(2S)-3-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]butanoic acid
CID 7529599
(2S)-4-methyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid
CID 7530298
(2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid
CID 7530300
2-Methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 16791395
(2S)-3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 17574883
(2S)-4-methyl-2-(3-((tetrahydrofuran-2-yl)methyl)ureido)pentanoic acid
CID 17575426
(2R)-4-methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 45601574
4-Amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
CID 55118726

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid (CID 114005749) is (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid is CC1(CNC(=O)N[C@H](CC(N)=O)C(=O)O)CCCO1.
What is the InChIKey of (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is OKZVHJAVNWLHDD-DKSCNQEISA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(3-2-4-19-11)6-13-10(18)14-7(9(16)17)5-8(12)15/h7H,2-6H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t7-,11?/m1/s1.
What are the key properties of (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 273.29 g/mol, XLogP of -0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 114005749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).