3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid

C11H21N3O4 — CID 103112618

IUPAC3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-13(3)10(17)8(2)12-11(18)14(4)7-6-9(15)16/h8H,5-7H2,1-4H3,(H,12,18)(H,15,16)
InChIKeyVYQLAJQDKVVDDB-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.03
Rot. Bonds6

About 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid

3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid (PubChem CID 103112618) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
PubChem CID103112618
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-13(3)10(17)8(2)12-11(18)14(4)7-6-9(15)16/h8H,5-7H2,1-4H3,(H,12,18)(H,15,16)
InChIKeyVYQLAJQDKVVDDB-UHFFFAOYSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic 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-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid
CID 61202238
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499411
3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 113408721
N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide
CID 107036969
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxypentanamide
CID 103113627
3-[but-3-yn-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 114418466
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112551
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
(2R)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112614

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid (CID 103112618) is 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid is CCN(C)C(=O)C(C)NC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid?
The InChIKey is VYQLAJQDKVVDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-13(3)10(17)8(2)12-11(18)14(4)7-6-9(15)16/h8H,5-7H2,1-4H3,(H,12,18)(H,15,16).
What are the key properties of 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid?
3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 103112618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).