3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid

C13H25N3O4 — CID 114400927

IUPAC3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
SMILESCCN1CCOC(CNC(=O)NC(C)C(C)C(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-4-16-5-6-20-11(8-16)7-14-13(19)15-10(3)9(2)12(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyYWFDRCFRYYDDPO-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.12
Rot. Bonds6

About 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid

3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid (PubChem CID 114400927) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
PubChem CID114400927
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
SMILESCCN1CCOC(CNC(=O)NC(C)C(C)C(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-4-16-5-6-20-11(8-16)7-14-13(19)15-10(3)9(2)12(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyYWFDRCFRYYDDPO-UHFFFAOYSA-N
XLogP0.12
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic 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

(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
CID 114400930
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 114400913
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 104921095
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970
4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 114400938
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
N-[(4-ethylmorpholin-2-yl)methyl]-2-piperazin-1-ylacetamide
CID 114399910
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid (CID 114400927) is 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid is CCN1CCOC(CNC(=O)NC(C)C(C)C(=O)O)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid?
The InChIKey is YWFDRCFRYYDDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-4-16-5-6-20-11(8-16)7-14-13(19)15-10(3)9(2)12(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid?
3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 114400927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).