2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid

C9H20N2O2 — CID 63028227

IUPAC2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
SMILESCC(C)CN(C)CCC(N)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-7(2)6-11(3)5-4-8(10)9(12)13/h7-8H,4-6,10H2,1-3H3,(H,12,13)
InChIKeyRCXZJLKEMFUMQH-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.38
Rot. Bonds6

About 2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid

2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid (PubChem CID 63028227) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
PubChem CID63028227
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
SMILESCC(C)CN(C)CCC(N)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-7(2)6-11(3)5-4-8(10)9(12)13/h7-8H,4-6,10H2,1-3H3,(H,12,13)
InChIKeyRCXZJLKEMFUMQH-UHFFFAOYSA-N
XLogP0.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-5-methylhexanoic acid
CID 40537121
4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028225
2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 63053244
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996
2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
CID 63055687
2-amino-21-methyldocosanoic acid
CID 10926747
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]butanoic acid
CID 115241256
2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid
CID 63030187
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
CID 63029409

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid (CID 63028227) is 2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid is CC(C)CN(C)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid?
The InChIKey is RCXZJLKEMFUMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)6-11(3)5-4-8(10)9(12)13/h7-8H,4-6,10H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid?
2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid is sourced from PubChem (CID 63028227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).