2-(2-methylpropylimino)propanoic acid

C7H13NO2 — CID 45086648

IUPAC2-(2-methylpropylimino)propanoic acid
SMILESC/C(=N\CC(C)C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(2)4-8-6(3)7(9)10/h5H,4H2,1-3H3,(H,9,10)/b8-6+
InChIKeyPIWTUTMZNQQYOI-SOFGYWHQSA-N
MW143.19 g/mol
LogP1.19
Rot. Bonds3

About 2-(2-methylpropylimino)propanoic acid

2-(2-methylpropylimino)propanoic acid (PubChem CID 45086648) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(2-methylpropylimino)propanoic acid.

Molecular Properties

Compound Name2-(2-methylpropylimino)propanoic acid
PubChem CID45086648
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(2-methylpropylimino)propanoic acid
SMILESC/C(=N\CC(C)C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(2)4-8-6(3)7(9)10/h5H,4H2,1-3H3,(H,9,10)/b8-6+
InChIKeyPIWTUTMZNQQYOI-SOFGYWHQSA-N
XLogP1.19
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-nitrosopropylimino)propanoic acid
CID 123808557
2-propyliminopropanoic acid
CID 91004291
3-[2-methyl-3-(3-oxobutan-2-ylideneamino)propyl]iminobutan-2-one
CID 57234369
5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine
CID 169113962
1-methoxy-N-(2-methylpropyl)propan-2-imine
CID 14242576
6,6-dimethyl-5-(2-methylpropylimino)heptan-2-one
CID 10330797
2-methyl-3-(2-methylpropylimino)hexanoic acid
CID 91491837
methyl 3-hydroxy-3-methoxy-2-[N'-(2-methylpropyl)carbamimidoyl]prop-2-enoate
CID 135464020
acetic acid;2-methylbutane
CID 172862544
carbonic acid;2-methylpropane
CID 87262286
2-methyl-N'-(2-methylpropyl)prop-2-enimidamide
CID 90961538
2-(2-chloropropanoylimino)propanoic acid
CID 76850604

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylimino)propanoic acid?
The IUPAC name of 2-(2-methylpropylimino)propanoic acid (CID 45086648) is 2-(2-methylpropylimino)propanoic acid.
What is the SMILES notation for 2-(2-methylpropylimino)propanoic acid?
The canonical SMILES for 2-(2-methylpropylimino)propanoic acid is C/C(=N\CC(C)C)C(=O)O.
What is the InChIKey of 2-(2-methylpropylimino)propanoic acid?
The InChIKey is PIWTUTMZNQQYOI-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)4-8-6(3)7(9)10/h5H,4H2,1-3H3,(H,9,10)/b8-6+.
What are the key properties of 2-(2-methylpropylimino)propanoic acid?
2-(2-methylpropylimino)propanoic acid has a molecular weight of 143.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylimino)propanoic acid is sourced from PubChem (CID 45086648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).