3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid

C10H18N2O4 — CID 115596400

IUPAC3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid
SMILESCCCC(=O)NCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-4-8(13)11-7-9(14)12(2)6-5-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyUCAJCZBWLHWWBE-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.16
Rot. Bonds7

About 3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid

3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid (PubChem CID 115596400) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid
PubChem CID115596400
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid
SMILESCCCC(=O)NCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-4-8(13)11-7-9(14)12(2)6-5-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyUCAJCZBWLHWWBE-UHFFFAOYSA-N
XLogP-0.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(butanoylamino)acetyl]-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-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-methylamino]propanoic acid
CID 119362474
3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
CID 79256387
2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid
CID 119955160
3-[methyl-[2-[3-[4-(phenylcarbamoylamino)phenyl]propanoylamino]acetyl]amino]propanoic acid
CID 22950869
CID 88685642
CID 88685642
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid
CID 88919020
4-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]butanoic acid
CID 43172456
5-[[[2-(butanoylamino)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222497
3-[methyl-(2-propylsulfanylacetyl)amino]propanoic acid
CID 115731280
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
3-[3-ethylpentanoyl(methyl)amino]propanoic acid
CID 119362677

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid (CID 115596400) is 3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid is CCCC(=O)NCC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid?
The InChIKey is UCAJCZBWLHWWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-4-8(13)11-7-9(14)12(2)6-5-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid?
3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 115596400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).