4-(carboxyamino)-3,3-dimethylbutanoic acid

C7H13NO4 — CID 122599753

IUPAC4-(carboxyamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(CNC(=O)O)CC(=O)O
InChIInChI=1S/C7H13NO4/c1-7(2,3-5(9)10)4-8-6(11)12/h8H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyJRZVUMDURFEZGQ-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.75
Rot. Bonds4

About 4-(carboxyamino)-3,3-dimethylbutanoic acid

4-(carboxyamino)-3,3-dimethylbutanoic acid (PubChem CID 122599753) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-(carboxyamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(carboxyamino)-3,3-dimethylbutanoic acid
PubChem CID122599753
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-(carboxyamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(CNC(=O)O)CC(=O)O
InChIInChI=1S/C7H13NO4/c1-7(2,3-5(9)10)4-8-6(11)12/h8H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyJRZVUMDURFEZGQ-UHFFFAOYSA-N
XLogP0.75
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 175236529
4-(cyclobutylamino)-3,3-dimethylbutanoic acid
CID 115220244
4-amino-3,3-dimethylbutanoic acid
CID 910834
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934613
(2-fluoro-3-hydroxy-2-methylpropyl)carbamic acid
CID 126688385
3,3-dimethyl-4-[(2,4,5-trimethylphenyl)methylamino]butanoic acid
CID 115220342
3,3-dichlorobutanoic acid
CID 56997062
5-[(4-carboxy-3,3-dimethylbutyl)carbamothioylamino]-3,3-dimethylpentanoic acid
CID 11290511
3,3-dimethyloctanoic acid
CID 20501381
3,3-dimethyl-5-methylideneheptanoic acid
CID 81004122
manganese;3,3,5,5-tetramethylhexanoic acid
CID 139596893

Frequently Asked Questions

What is the IUPAC name of 4-(carboxyamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 4-(carboxyamino)-3,3-dimethylbutanoic acid (CID 122599753) is 4-(carboxyamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-(carboxyamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-(carboxyamino)-3,3-dimethylbutanoic acid is CC(C)(CNC(=O)O)CC(=O)O.
What is the InChIKey of 4-(carboxyamino)-3,3-dimethylbutanoic acid?
The InChIKey is JRZVUMDURFEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-7(2,3-5(9)10)4-8-6(11)12/h8H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 4-(carboxyamino)-3,3-dimethylbutanoic acid?
4-(carboxyamino)-3,3-dimethylbutanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxyamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 122599753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).