4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid

C14H30N2O2 — CID 63053630

IUPAC4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
SMILESCCCCN(CCC(NCC)C(=O)O)C(C)CC
InChIInChI=1S/C14H30N2O2/c1-5-8-10-16(12(4)6-2)11-9-13(14(17)18)15-7-3/h12-13,15H,5-11H2,1-4H3,(H,17,18)
InChIKeyXPTTVLHKERIOSH-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.34
Rot. Bonds11

About 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid

4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid (PubChem CID 63053630) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid.

Molecular Properties

Compound Name4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
PubChem CID63053630
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
SMILESCCCCN(CCC(NCC)C(=O)O)C(C)CC
InChIInChI=1S/C14H30N2O2/c1-5-8-10-16(12(4)6-2)11-9-13(14(17)18)15-7-3/h12-13,15H,5-11H2,1-4H3,(H,17,18)
InChIKeyXPTTVLHKERIOSH-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
CID 55145482
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
CID 63053272
4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
CID 63054650
4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
CID 63027471
ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
CID 63054301
N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine
CID 63493603
methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028254
3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
3-[butan-2-yl(butyl)amino]propanehydrazide
CID 63577909
2-(ethylamino)hexanedioic acid
CID 88869975
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid?
The IUPAC name of 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid (CID 63053630) is 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid.
What is the SMILES notation for 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid?
The canonical SMILES for 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid is CCCCN(CCC(NCC)C(=O)O)C(C)CC.
What is the InChIKey of 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid?
The InChIKey is XPTTVLHKERIOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-8-10-16(12(4)6-2)11-9-13(14(17)18)15-7-3/h12-13,15H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid?
4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid has a molecular weight of 258.41 g/mol, XLogP of 2.34, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid is sourced from PubChem (CID 63053630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).