4-(3-carboxybutylamino)-2-methylbutanoic acid

C10H19NO4 — CID 137491777

IUPAC4-(3-carboxybutylamino)-2-methylbutanoic acid
SMILESCC(CCNCCC(C)C(=O)O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(9(12)13)3-5-11-6-4-8(2)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyUVSDIKZRKVYXGO-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.80
Rot. Bonds8

About 4-(3-carboxybutylamino)-2-methylbutanoic acid

4-(3-carboxybutylamino)-2-methylbutanoic acid (PubChem CID 137491777) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(3-carboxybutylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(3-carboxybutylamino)-2-methylbutanoic acid
PubChem CID137491777
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-(3-carboxybutylamino)-2-methylbutanoic acid
SMILESCC(CCNCCC(C)C(=O)O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(9(12)13)3-5-11-6-4-8(2)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyUVSDIKZRKVYXGO-UHFFFAOYSA-N
XLogP0.80
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylamino)butyric acid
CID 70703
4-(Ethylamino)butanoic acid hydrochloride
CID 71357190
4,4-Bis(N,N-dibutyric acid)
CID 4072500
4-(Pentylamino)butanoic acid
CID 13292338
4-(Propylamino)butanoic acid
CID 16769183
3-Isobutyl-g-aminobutyric acid
CID 18071581
(Ethylendiimino)-dibutyric acid
CID 53815926
4-(Ethylamino)butanoic acid
CID 13082753
4-(2,2-Difluoropropylamino)-3-methylbutanoic acid
CID 144847250
4-(Butylamino)-2-methyl-4-oxobutanoic acid
CID 286292
4-(Tert-butylamino)butanoic acid
CID 312878
Di(2-acetoxy-n-propyl)amine
CID 57979

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxybutylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(3-carboxybutylamino)-2-methylbutanoic acid (CID 137491777) is 4-(3-carboxybutylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(3-carboxybutylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(3-carboxybutylamino)-2-methylbutanoic acid is CC(CCNCCC(C)C(=O)O)C(=O)O.
What is the InChIKey of 4-(3-carboxybutylamino)-2-methylbutanoic acid?
The InChIKey is UVSDIKZRKVYXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(9(12)13)3-5-11-6-4-8(2)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(3-carboxybutylamino)-2-methylbutanoic acid?
4-(3-carboxybutylamino)-2-methylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxybutylamino)-2-methylbutanoic acid is sourced from PubChem (CID 137491777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).