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

C11H24N2O2 — CID 63028232

IUPAC4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
SMILESCCCN(C)CCC(NC(C)C)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-5-7-13(4)8-6-10(11(14)15)12-9(2)3/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyCWWSWGCTZDVLNT-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.17
Rot. Bonds8

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

4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid (PubChem CID 63028232) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
PubChem CID63028232
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
SMILESCCCN(C)CCC(NC(C)C)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-5-7-13(4)8-6-10(11(14)15)12-9(2)3/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyCWWSWGCTZDVLNT-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 81061462
4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028225
4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63029791
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63055545
2-(propan-2-ylamino)heptanoic acid
CID 43754297
2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid
CID 63029021
4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
CID 81074467
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81062128
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63054663
4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
CID 63699813
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 81061472
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid (CID 63028232) is 4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid is CCCN(C)CCC(NC(C)C)C(=O)O.
What is the InChIKey of 4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid?
The InChIKey is CWWSWGCTZDVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-7-13(4)8-6-10(11(14)15)12-9(2)3/h9-10,12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid?
4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid has a molecular weight of 216.32 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63028232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).