2-imino-4,4-dimethylpentanoic acid

C7H13NO2 — CID 148878932

IUPAC2-imino-4,4-dimethylpentanoic acid
SMILES[H]/N=C(/CC(C)(C)C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-7(2,3)4-5(8)6(9)10/h8H,4H2,1-3H3,(H,9,10)/b8-5-
InChIKeyPCQXYQDJRBKOPK-YVMONPNESA-N
MW143.19 g/mol
LogP1.53
Rot. Bonds2

About 2-imino-4,4-dimethylpentanoic acid

2-imino-4,4-dimethylpentanoic acid (PubChem CID 148878932) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-imino-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-imino-4,4-dimethylpentanoic acid
PubChem CID148878932
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-imino-4,4-dimethylpentanoic acid
SMILES[H]/N=C(/CC(C)(C)C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-7(2,3)4-5(8)6(9)10/h8H,4H2,1-3H3,(H,9,10)/b8-5-
InChIKeyPCQXYQDJRBKOPK-YVMONPNESA-N
XLogP1.53
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butylimino-2-iminopentanoic acid
CID 123412428
6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 174515371
6,6,6-trifluoro-3,5-diiminohexan-2-one
CID 123221131
2-iminohexanoic acid
CID 54447751
2-(2,2-dimethylpropyl)-3-hydroxy-4,4-dimethylpent-2-enoic acid
CID 171749300
4-hydroxy-2-iminohexanoic acid
CID 174538418
3-imino-5,5,7,7-tetramethyloctan-4-one
CID 123844466
3,3-dimethylbutanoic acid;yttrium
CID 59798482
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
CID 161078070
CID 161078070
4,4-dimethyl-3-oxopentanimidamide
CID 71322397
2,3,5,5-tetramethylhex-2-enoic acid
CID 131136354

Frequently Asked Questions

What is the IUPAC name of 2-imino-4,4-dimethylpentanoic acid?
The IUPAC name of 2-imino-4,4-dimethylpentanoic acid (CID 148878932) is 2-imino-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-imino-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-imino-4,4-dimethylpentanoic acid is [H]/N=C(/CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-imino-4,4-dimethylpentanoic acid?
The InChIKey is PCQXYQDJRBKOPK-YVMONPNESA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,3)4-5(8)6(9)10/h8H,4H2,1-3H3,(H,9,10)/b8-5-.
What are the key properties of 2-imino-4,4-dimethylpentanoic acid?
2-imino-4,4-dimethylpentanoic acid has a molecular weight of 143.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4,4-dimethylpentanoic acid is sourced from PubChem (CID 148878932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).