2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid

C10H19NO3 — CID 63704841

IUPAC2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N(C=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-10(4,9(13)14)11(7-12)8(2)3/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyONBYVBURKHBRIT-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.50
Rot. Bonds6

About 2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid

2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid (PubChem CID 63704841) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid
PubChem CID63704841
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N(C=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-10(4,9(13)14)11(7-12)8(2)3/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyONBYVBURKHBRIT-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
CID 114989107
2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid
CID 114988949
2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid
CID 63705343
2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid
CID 63704773
2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
CID 90351457
2-[formyl(propyl)amino]-2-methylheptanoic acid
CID 80557943
2-formamido-2-methylpentanoic acid
CID 61145661
2-[formyl(propan-2-yl)amino]-2-(4-methylphenyl)propanoic acid
CID 63689799
2-(3-bromophenyl)-2-[formyl(propan-2-yl)amino]butanoic acid
CID 114079039
2-tert-butyl-3-methyl-2-propylbutanedioic acid
CID 88879853
2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid
CID 114991400
2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999201

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid (CID 63704841) is 2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid is CCCC(C)(C(=O)O)N(C=O)C(C)C.
What is the InChIKey of 2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid?
The InChIKey is ONBYVBURKHBRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-6-10(4,9(13)14)11(7-12)8(2)3/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid?
2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 63704841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).