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

C14H30N2O2 — CID 63055545

IUPAC4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)CC(C)N(C)CCC(NC(C)C)C(=O)O
InChIInChI=1S/C14H30N2O2/c1-10(2)9-12(5)16(6)8-7-13(14(17)18)15-11(3)4/h10-13,15H,7-9H2,1-6H3,(H,17,18)
InChIKeyIPGOWJGDAKGTTG-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.19
Rot. Bonds9

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

4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid (PubChem CID 63055545) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid
PubChem CID63055545
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)CC(C)N(C)CCC(NC(C)C)C(=O)O
InChIInChI=1S/C14H30N2O2/c1-10(2)9-12(5)16(6)8-7-13(14(17)18)15-11(3)4/h10-13,15H,7-9H2,1-6H3,(H,17,18)
InChIKeyIPGOWJGDAKGTTG-UHFFFAOYSA-N
XLogP2.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide
CID 63055362
4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028232
4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028225
methyl 2-(ethylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanoate
CID 63053083
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 81061462
ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate
CID 63029192
2-acetamido-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
CID 64582521
2-(propan-2-ylamino)heptanoic acid
CID 43754297
4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63029791
(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
CID 107566606
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63054663
5-methyl-2-(propan-2-ylamino)hexanoic acid;5-methyl-3-(propan-2-ylamino)hexanoic acid
CID 160683825

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid (CID 63055545) is 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid is CC(C)CC(C)N(C)CCC(NC(C)C)C(=O)O.
What is the InChIKey of 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid?
The InChIKey is IPGOWJGDAKGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-10(2)9-12(5)16(6)8-7-13(14(17)18)15-11(3)4/h10-13,15H,7-9H2,1-6H3,(H,17,18).
What are the key properties of 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid?
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid has a molecular weight of 258.41 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63055545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).