2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid

C9H17N3O5 — CID 63929707

IUPAC2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
SMILESCC(C)CC(NC(N)=O)C(=O)NOCC(=O)O
InChIInChI=1S/C9H17N3O5/c1-5(2)3-6(11-9(10)16)8(15)12-17-4-7(13)14/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14)(H3,10,11,16)
InChIKeyKJENFVGUFPYWFN-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.80
Rot. Bonds7

About 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid

2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid (PubChem CID 63929707) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
PubChem CID63929707
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
SMILESCC(C)CC(NC(N)=O)C(=O)NOCC(=O)O
InChIInChI=1S/C9H17N3O5/c1-5(2)3-6(11-9(10)16)8(15)12-17-4-7(13)14/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14)(H3,10,11,16)
InChIKeyKJENFVGUFPYWFN-UHFFFAOYSA-N
XLogP-0.80
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic 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

2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
CID 60668454
2-(2-methylpropanoylamino)oxyacetic acid
CID 60668072
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid
CID 78975508
2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
CID 113498876
2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide
CID 83202418
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321
2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid
CID 43356152
5-amino-2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 43358642
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide
CID 114152761
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylpentanamide
CID 43500738

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid (CID 63929707) is 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid is CC(C)CC(NC(N)=O)C(=O)NOCC(=O)O.
What is the InChIKey of 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid?
The InChIKey is KJENFVGUFPYWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-5(2)3-6(11-9(10)16)8(15)12-17-4-7(13)14/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14)(H3,10,11,16).
What are the key properties of 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid?
2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid has a molecular weight of 247.25 g/mol, XLogP of -0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid is sourced from PubChem (CID 63929707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).