2-formamido-2-methylpentanoic acid

C7H13NO3 — CID 61145661

IUPAC2-formamido-2-methylpentanoic acid
SMILESCCCC(C)(NC=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-4-7(2,6(10)11)8-5-9/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyULJHCMOEDYUGOI-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.38
Rot. Bonds5

About 2-formamido-2-methylpentanoic acid

2-formamido-2-methylpentanoic acid (PubChem CID 61145661) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-formamido-2-methylpentanoic acid.

Molecular Properties

Compound Name2-formamido-2-methylpentanoic acid
PubChem CID61145661
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-formamido-2-methylpentanoic acid
SMILESCCCC(C)(NC=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-4-7(2,6(10)11)8-5-9/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyULJHCMOEDYUGOI-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid
CID 174532467
2-methyl-2-(2-methylbutan-2-ylamino)pentanoic acid
CID 114987745
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
N-(4-methylheptan-4-yl)formamide
CID 54483706
2-butyl-2-formamidohexanoic acid
CID 121217700
2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
CID 79355808
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2,2-diformamidopropanoic acid
CID 87109916
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-ethyl-2-formamidobutanoic acid
CID 63689307
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557

Frequently Asked Questions

What is the IUPAC name of 2-formamido-2-methylpentanoic acid?
The IUPAC name of 2-formamido-2-methylpentanoic acid (CID 61145661) is 2-formamido-2-methylpentanoic acid.
What is the SMILES notation for 2-formamido-2-methylpentanoic acid?
The canonical SMILES for 2-formamido-2-methylpentanoic acid is CCCC(C)(NC=O)C(=O)O.
What is the InChIKey of 2-formamido-2-methylpentanoic acid?
The InChIKey is ULJHCMOEDYUGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-4-7(2,6(10)11)8-5-9/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-formamido-2-methylpentanoic acid?
2-formamido-2-methylpentanoic acid has a molecular weight of 159.19 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-2-methylpentanoic acid is sourced from PubChem (CID 61145661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).