4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid

C16H25NO2 — CID 65058347

IUPAC4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid
SMILESCC(CN(CCCC(=O)O)C(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-13(2)17(11-7-10-16(18)19)12-14(3)15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyIYIPNRHJWDPWSK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds8

About 4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid

4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid (PubChem CID 65058347) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid
PubChem CID65058347
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid
SMILESCC(CN(CCCC(=O)O)C(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-13(2)17(11-7-10-16(18)19)12-14(3)15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyIYIPNRHJWDPWSK-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058636
4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid
CID 114282079
4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
CID 62105886
4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
CID 55027827
3-[tert-butyl(2-phenylpropyl)amino]propanoic acid
CID 65058523
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid
CID 60833320
4-[2-methylpentyl(propan-2-yl)amino]butanoic acid
CID 62265559
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61186680
4-[1-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058820
4-[(2-methyl-1H-indol-3-yl)methyl-propan-2-ylamino]butanoic acid
CID 65058874
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958

Frequently Asked Questions

What is the IUPAC name of 4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid (CID 65058347) is 4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid is CC(CN(CCCC(=O)O)C(C)C)c1ccccc1.
What is the InChIKey of 4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid?
The InChIKey is IYIPNRHJWDPWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)17(11-7-10-16(18)19)12-14(3)15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3,(H,18,19).
What are the key properties of 4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid?
4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 65058347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).