4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid

C15H31NO2 — CID 114282079

IUPAC4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)C(CN(CCCC(=O)O)C(C)C)C(C)C
InChIInChI=1S/C15H31NO2/c1-11(2)14(12(3)4)10-16(13(5)6)9-7-8-15(17)18/h11-14H,7-10H2,1-6H3,(H,17,18)
InChIKeyGLIGKANABSBLNA-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.49
Rot. Bonds9

About 4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid

4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid (PubChem CID 114282079) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid
PubChem CID114282079
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)C(CN(CCCC(=O)O)C(C)C)C(C)C
InChIInChI=1S/C15H31NO2/c1-11(2)14(12(3)4)10-16(13(5)6)9-7-8-15(17)18/h11-14H,7-10H2,1-6H3,(H,17,18)
InChIKeyGLIGKANABSBLNA-UHFFFAOYSA-N
XLogP3.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
CID 62105886
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-[2-methylpentyl(propan-2-yl)amino]butanoic acid
CID 62265559
4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid
CID 65058347
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
4-[[3-(methylamino)-3-oxopropyl]-propan-2-ylamino]butanoic acid
CID 62324292
4-[pent-3-ynyl(propan-2-yl)amino]butanoic acid
CID 104808716
4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834108
4-[3-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058636
4-[(2-amino-3,3-dimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 76894241
4-[(1-hydroxycyclopentyl)methyl-propan-2-ylamino]butanoic acid
CID 65212542
4-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]butanoic acid
CID 103034658

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid (CID 114282079) is 4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid is CC(C)C(CN(CCCC(=O)O)C(C)C)C(C)C.
What is the InChIKey of 4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid?
The InChIKey is GLIGKANABSBLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-11(2)14(12(3)4)10-16(13(5)6)9-7-8-15(17)18/h11-14H,7-10H2,1-6H3,(H,17,18).
What are the key properties of 4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid?
4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid has a molecular weight of 257.42 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 114282079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).