5-oxo-5-(3-phenylbutylamino)pentanoic acid

C15H21NO3 — CID 62987506

IUPAC5-oxo-5-(3-phenylbutylamino)pentanoic acid
SMILESCC(CCNC(=O)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-12(13-6-3-2-4-7-13)10-11-16-14(17)8-5-9-15(18)19/h2-4,6-7,12H,5,8-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyJKYTUEHWVGODHI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.55
Rot. Bonds8

About 5-oxo-5-(3-phenylbutylamino)pentanoic acid

5-oxo-5-(3-phenylbutylamino)pentanoic acid (PubChem CID 62987506) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-oxo-5-(3-phenylbutylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(3-phenylbutylamino)pentanoic acid
PubChem CID62987506
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-oxo-5-(3-phenylbutylamino)pentanoic acid
SMILESCC(CCNC(=O)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-12(13-6-3-2-4-7-13)10-11-16-14(17)8-5-9-15(18)19/h2-4,6-7,12H,5,8-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyJKYTUEHWVGODHI-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxo-6-(3-phenylbutylamino)hexanoic acid
CID 62987507
4-chloro-N-(3-phenylbutyl)butanamide
CID 63308144
N-(3-phenylbutyl)benzamide
CID 62403316
N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide
CID 79280576
1-butyl-3-(3-phenylbutyl)urea
CID 115600283
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79269795
2,2,2-trifluoroethyl N-[3-oxo-3-[[(3R)-3-phenylbutyl]amino]propyl]carbamate
CID 95287422
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(3-phenylbutylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(3-phenylbutylamino)pentanoic acid (CID 62987506) is 5-oxo-5-(3-phenylbutylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(3-phenylbutylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(3-phenylbutylamino)pentanoic acid is CC(CCNC(=O)CCCC(=O)O)c1ccccc1.
What is the InChIKey of 5-oxo-5-(3-phenylbutylamino)pentanoic acid?
The InChIKey is JKYTUEHWVGODHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(13-6-3-2-4-7-13)10-11-16-14(17)8-5-9-15(18)19/h2-4,6-7,12H,5,8-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-oxo-5-(3-phenylbutylamino)pentanoic acid?
5-oxo-5-(3-phenylbutylamino)pentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(3-phenylbutylamino)pentanoic acid is sourced from PubChem (CID 62987506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).