4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid

C13H24N2O4 — CID 82728453

IUPAC4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
SMILESCC1OCCC1NC(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C13H24N2O4/c1-9(2)15(7-4-5-12(16)17)13(18)14-11-6-8-19-10(11)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyCBMDQEDDNPNDNO-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds6

About 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid

4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid (PubChem CID 82728453) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
PubChem CID82728453
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
SMILESCC1OCCC1NC(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C13H24N2O4/c1-9(2)15(7-4-5-12(16)17)13(18)14-11-6-8-19-10(11)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyCBMDQEDDNPNDNO-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[ethyl-[(2-methyloxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82727894
3-[(2-methylcyclohexyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61190174
3-[oxan-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61202946
3-[cyclopropylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61187933
5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid
CID 82728125
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid
CID 79380827
3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61402752
3-[(1,3-dimethylpiperidin-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 114505374
4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 106192096
4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61205751
4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189226
4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
CID 79750382

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid (CID 82728453) is 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid is CC1OCCC1NC(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The InChIKey is CBMDQEDDNPNDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)15(7-4-5-12(16)17)13(18)14-11-6-8-19-10(11)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 82728453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).