3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid

C10H20AsNO3 — CID 173182030

IUPAC3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid
SMILESCCC(C)CC(CC(=O)O)NC(=O)C[AsH2]
InChIInChI=1S/C10H20AsNO3/c1-3-7(2)4-8(5-10(14)15)12-9(13)6-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySTPIVXXMHFPXQL-UHFFFAOYSA-N
MW277.20 g/mol
LogP0.43
Rot. Bonds7

About 3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid

3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid (PubChem CID 173182030) has the molecular formula C10H20AsNO3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid.

Molecular Properties

Compound Name3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid
PubChem CID173182030
Molecular FormulaC10H20AsNO3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid
SMILESCCC(C)CC(CC(=O)O)NC(=O)C[AsH2]
InChIInChI=1S/C10H20AsNO3/c1-3-7(2)4-8(5-10(14)15)12-9(13)6-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySTPIVXXMHFPXQL-UHFFFAOYSA-N
XLogP0.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[(2-arsanylacetyl)amino]-5-methylheptanoic 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

(3S,5R)-3-[[(1R)-1-acetyloxyethoxy]carbonylamino]-5-methylheptanoic acid
CID 87296210
(3S,5R)-5-methyl-3-[[(1R)-2-methyl-1-propanoyloxypropoxy]carbonylamino]heptanoic acid
CID 87295166
3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
CID 62966244
(3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid
CID 87609363
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
3-(acetamidomethyl)-5-methylheptanoic acid
CID 11333384
(3R)-3-(decanoylamino)-5-methylhexanoic acid
CID 10380017
3-(carboxyamino)-5-methylhexanoic acid
CID 174574418
(2R,4S)-4-methyl-2-(methylamino)hexanoic acid
CID 59874884
(4R,6R)-4,6-dimethyloctan-2-one
CID 15199451
N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide
CID 114876936
2-(dimethylamino)-N-(6-methyl-2-oxooctan-4-yl)pentanamide
CID 143358661

Frequently Asked Questions

What is the IUPAC name of 3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid?
The IUPAC name of 3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid (CID 173182030) is 3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid.
What is the SMILES notation for 3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid?
The canonical SMILES for 3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid is CCC(C)CC(CC(=O)O)NC(=O)C[AsH2].
What is the InChIKey of 3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid?
The InChIKey is STPIVXXMHFPXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20AsNO3/c1-3-7(2)4-8(5-10(14)15)12-9(13)6-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid?
3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid has a molecular weight of 277.20 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid is sourced from PubChem (CID 173182030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).