5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid

C14H19NO3 — CID 54852739

IUPAC5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
SMILESCC(Cc1ccccc1)NC(=O)CCCC(=O)O
InChIInChI=1S/C14H19NO3/c1-11(10-12-6-3-2-4-7-12)15-13(16)8-5-9-14(17)18/h2-4,6-7,11H,5,8-10H2,1H3,(H,15,16)(H,17,18)
InChIKeySZHJDQKOLNHFRF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds7

About 5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid

5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid (PubChem CID 54852739) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
PubChem CID54852739
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
SMILESCC(Cc1ccccc1)NC(=O)CCCC(=O)O
InChIInChI=1S/C14H19NO3/c1-11(10-12-6-3-2-4-7-12)15-13(16)8-5-9-14(17)18/h2-4,6-7,11H,5,8-10H2,1H3,(H,15,16)(H,17,18)
InChIKeySZHJDQKOLNHFRF-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 123313269
5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 103250470
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784
tert-butyl 4-oxo-4-(1-phenylpropan-2-ylamino)butanoate
CID 106707409
4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 64890331

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid (CID 54852739) is 5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid is CC(Cc1ccccc1)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid?
The InChIKey is SZHJDQKOLNHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(10-12-6-3-2-4-7-12)15-13(16)8-5-9-14(17)18/h2-4,6-7,11H,5,8-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid?
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid is sourced from PubChem (CID 54852739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).