2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid

C11H21N3O4 — CID 55096778

IUPAC2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
SMILESCCC(C)C(NC(N)=O)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-6(2)8(13-11(12)18)9(15)14(4)7(3)10(16)17/h6-8H,5H2,1-4H3,(H,16,17)(H3,12,13,18)
InChIKeyOWPQJEAYKSFOQD-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.00
Rot. Bonds6

About 2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid

2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid (PubChem CID 55096778) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
PubChem CID55096778
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
SMILESCCC(C)C(NC(N)=O)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-6(2)8(13-11(12)18)9(15)14(4)7(3)10(16)17/h6-8H,5H2,1-4H3,(H,16,17)(H3,12,13,18)
InChIKeyOWPQJEAYKSFOQD-UHFFFAOYSA-N
XLogP0.00
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(carbamoylamino)-3-methylpentanoyl]-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-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
CID 60989657
2-[tert-butyl-[2-(carbamoylamino)-3-methylpentanoyl]amino]acetic acid
CID 79266303
2-[[2-(carbamoylamino)-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263277
propyl (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
CID 97170653
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196445
(2S)-2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 114004858
2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-3-methylpentanoic acid
CID 61465815
2-[2-aminopropanoyl(methyl)amino]propanoic acid
CID 62637086
(2S)-2-[carbamoyl(methyl)amino]propanoic acid
CID 94520574
tert-butyl (2S)-2-[methyl-[(2S,3S)-3-methyl-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]pentanoyl]amino]propanoate
CID 171514190
(2S,3S)-2-(3,4-dimethylpentanoylamino)-3-methylpentanoic acid
CID 119193969

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid (CID 55096778) is 2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid is CCC(C)C(NC(N)=O)C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid?
The InChIKey is OWPQJEAYKSFOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-6(2)8(13-11(12)18)9(15)14(4)7(3)10(16)17/h6-8H,5H2,1-4H3,(H,16,17)(H3,12,13,18).
What are the key properties of 2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid?
2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid is sourced from PubChem (CID 55096778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).