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

C12H26N2O2 — CID 63028225

IUPAC4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)CN(C)CCC(NC(C)C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-9(2)8-14(5)7-6-11(12(15)16)13-10(3)4/h9-11,13H,6-8H2,1-5H3,(H,15,16)
InChIKeyWPNYRRQOBPFZGY-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.42
Rot. Bonds8

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

4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid (PubChem CID 63028225) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid
PubChem CID63028225
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)CN(C)CCC(NC(C)C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-9(2)8-14(5)7-6-11(12(15)16)13-10(3)4/h9-11,13H,6-8H2,1-5H3,(H,15,16)
InChIKeyWPNYRRQOBPFZGY-UHFFFAOYSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028232
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63055545
2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
CID 63028227
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 81061462
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 81061472
3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63009526
4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63029791
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid
CID 55143158
2-(propan-2-ylamino)heptanoic acid
CID 43754297
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63054663
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid (CID 63028225) is 4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid is CC(C)CN(C)CCC(NC(C)C)C(=O)O.
What is the InChIKey of 4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid?
The InChIKey is WPNYRRQOBPFZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)8-14(5)7-6-11(12(15)16)13-10(3)4/h9-11,13H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid?
4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63028225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).