2-formamido-5-methoxy-4-methylpentanoic acid

C8H15NO4 — CID 116502113

IUPAC2-formamido-5-methoxy-4-methylpentanoic acid
SMILESCOCC(C)CC(NC=O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-6(4-13-2)3-7(8(11)12)9-5-10/h5-7H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyXBWYMSRKGQEYJR-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.14
Rot. Bonds7

About 2-formamido-5-methoxy-4-methylpentanoic acid

2-formamido-5-methoxy-4-methylpentanoic acid (PubChem CID 116502113) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-formamido-5-methoxy-4-methylpentanoic acid.

Molecular Properties

Compound Name2-formamido-5-methoxy-4-methylpentanoic acid
PubChem CID116502113
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-formamido-5-methoxy-4-methylpentanoic acid
SMILESCOCC(C)CC(NC=O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-6(4-13-2)3-7(8(11)12)9-5-10/h5-7H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyXBWYMSRKGQEYJR-UHFFFAOYSA-N
XLogP-0.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-formamido-5-methoxy-4-methylpentanoic 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-formamido-6-methoxyhexanoic acid
CID 104647734
3-ethoxy-2-formamidopropanoic acid
CID 81079931
[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]azanium;(2S)-2-formamido-4-methylpentanoic acid
CID 159108771
2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid
CID 64582080
N-[(2S)-1-methoxypropan-2-yl]formamide
CID 87302736
2-formamido-3-(3-methoxysulfanylpropanoyloxy)propanoic acid
CID 170200038
2-formamido-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butanoic acid
CID 104563590
2-(2-formamidopropanoylamino)-4-methylpentanoic acid
CID 131864242
phenyl (2S)-2-formamido-3-methoxypropanoate
CID 101011313
N-(4-methoxy-2-methylbutyl)formamide
CID 91122116
2-(aminomethyl)-5-methoxy-4-methylpentanoic acid;hydrochloride
CID 122163311
2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119188229

Frequently Asked Questions

What is the IUPAC name of 2-formamido-5-methoxy-4-methylpentanoic acid?
The IUPAC name of 2-formamido-5-methoxy-4-methylpentanoic acid (CID 116502113) is 2-formamido-5-methoxy-4-methylpentanoic acid.
What is the SMILES notation for 2-formamido-5-methoxy-4-methylpentanoic acid?
The canonical SMILES for 2-formamido-5-methoxy-4-methylpentanoic acid is COCC(C)CC(NC=O)C(=O)O.
What is the InChIKey of 2-formamido-5-methoxy-4-methylpentanoic acid?
The InChIKey is XBWYMSRKGQEYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(4-13-2)3-7(8(11)12)9-5-10/h5-7H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-formamido-5-methoxy-4-methylpentanoic acid?
2-formamido-5-methoxy-4-methylpentanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-5-methoxy-4-methylpentanoic acid is sourced from PubChem (CID 116502113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).