5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid

C15H21NO4 — CID 119235201

IUPAC5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
SMILESCC(C)Oc1ccccc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C15H21NO4/c1-11(2)20-13-8-4-3-7-12(13)15(19)16-10-6-5-9-14(17)18/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNBICPTCXXDGMOG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds8

About 5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid

5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid (PubChem CID 119235201) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
PubChem CID119235201
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
SMILESCC(C)Oc1ccccc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C15H21NO4/c1-11(2)20-13-8-4-3-7-12(13)15(19)16-10-6-5-9-14(17)18/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNBICPTCXXDGMOG-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
5-[(4-bromo-2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119234529
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
12-[(2-azidooxybenzoyl)amino]dodecanoic acid
CID 70152578
disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid
CID 173066251
5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
CID 62031956
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid (CID 119235201) is 5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid is CC(C)Oc1ccccc1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid?
The InChIKey is NBICPTCXXDGMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(2)20-13-8-4-3-7-12(13)15(19)16-10-6-5-9-14(17)18/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid?
5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 119235201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).