(2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid

C12H22N2O4 — CID 7530300

IUPAC(2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)NC[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(2)6-10(11(15)16)14-12(17)13-7-9-4-3-5-18-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t9-,10+/m1/s1
InChIKeyVBQDUNIKGJHQRA-ZJUUUORDSA-N
MW258.32 g/mol
LogP0.96
Rot. Bonds6

About (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid

(2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid (PubChem CID 7530300) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid
PubChem CID7530300
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)NC[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(2)6-10(11(15)16)14-12(17)13-7-9-4-3-5-18-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t9-,10+/m1/s1
InChIKeyVBQDUNIKGJHQRA-ZJUUUORDSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid (CID 7530300) is (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid is CC(C)C[C@H](NC(=O)NC[C@H]1CCCO1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid?
The InChIKey is VBQDUNIKGJHQRA-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(2)6-10(11(15)16)14-12(17)13-7-9-4-3-5-18-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t9-,10+/m1/s1.
What are the key properties of (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid?
(2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[(2R)-oxolan-2-yl]methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 7530300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).