2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid

C16H24N2O3 — CID 43631427

IUPAC2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NCCCc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-2-7-14(16(20)21)18-12-15(19)17-11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14,18H,2,6-7,10-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyNQELXAYYINJHIX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.58
Rot. Bonds10

About 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid

2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid (PubChem CID 43631427) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
PubChem CID43631427
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NCCCc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-2-7-14(16(20)21)18-12-15(19)17-11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14,18H,2,6-7,10-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyNQELXAYYINJHIX-UHFFFAOYSA-N
XLogP1.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023
(2S)-2-(8-phenyloctanoylamino)pentanoic acid
CID 67898131
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide
CID 9263745
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
3-(ethylamino)-N-(3-phenylpropyl)butanamide
CID 62839193
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid
CID 43631782
2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
CID 112994808
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide
CID 9397422
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid (CID 43631427) is 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid is CCCC(NCC(=O)NCCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid?
The InChIKey is NQELXAYYINJHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-7-14(16(20)21)18-12-15(19)17-11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14,18H,2,6-7,10-12H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid?
2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.58, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 43631427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).