3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid

C10H19N3O4 — CID 146653249

IUPAC3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
SMILESCN[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-6(11-3)10(17)13-7(2)9(16)12-5-4-8(14)15/h6-7,11H,4-5H2,1-3H3,(H,12,16)(H,13,17)(H,14,15)/t6-,7-/m0/s1
InChIKeyDBUVCVSCMLTMMH-BQBZGAKWSA-N
MW245.28 g/mol
LogP-1.31
Rot. Bonds7

About 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid

3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid (PubChem CID 146653249) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
PubChem CID146653249
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
SMILESCN[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-6(11-3)10(17)13-7(2)9(16)12-5-4-8(14)15/h6-7,11H,4-5H2,1-3H3,(H,12,16)(H,13,17)(H,14,15)/t6-,7-/m0/s1
InChIKeyDBUVCVSCMLTMMH-BQBZGAKWSA-N
XLogP-1.31
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]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-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
CID 170549773
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid
CID 88998079
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid
CID 10353830
3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid
CID 175998278
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
3-[2-(dimethylamino)propanoylamino]propanoic acid
CID 126638716
(3S)-3-amino-4-(2-carboxyethylamino)-4-oxobutanoic acid
CID 7019995
N-methyl-2-[2-[2-(methylamino)propanoylamino]propanoylamino]butanediamide
CID 142463784
7-[2-(carbamoylamino)propanoylamino]heptanoic acid
CID 43358941

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid (CID 146653249) is 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid is CN[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid?
The InChIKey is DBUVCVSCMLTMMH-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-6(11-3)10(17)13-7(2)9(16)12-5-4-8(14)15/h6-7,11H,4-5H2,1-3H3,(H,12,16)(H,13,17)(H,14,15)/t6-,7-/m0/s1.
What are the key properties of 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid?
3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.31, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 146653249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).