2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid

C10H18N2O4 — CID 62669383

IUPAC2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
SMILESCC(CNC(=O)NCC1CCCO1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-7(9(13)14)5-11-10(15)12-6-8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyZVSPILDOIFQINP-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.19
Rot. Bonds5

About 2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid

2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid (PubChem CID 62669383) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
PubChem CID62669383
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
SMILESCC(CNC(=O)NCC1CCCO1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-7(9(13)14)5-11-10(15)12-6-8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyZVSPILDOIFQINP-UHFFFAOYSA-N
XLogP0.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(oxolan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218986
4-methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 4037281
3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 3352161
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222628
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
4-amino-4-oxo-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid (CID 62669383) is 2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid is CC(CNC(=O)NCC1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is ZVSPILDOIFQINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(9(13)14)5-11-10(15)12-6-8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid?
2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 62669383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).