2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid

C15H22N2O4 — CID 62328876

IUPAC2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid
SMILESCCCOc1ccc(NC(=O)NC(CCC)C(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-3-5-13(14(18)19)17-15(20)16-11-6-8-12(9-7-11)21-10-4-2/h6-9,13H,3-5,10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyCFVXHQTVHRJGEF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.85
Rot. Bonds8

About 2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid

2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid (PubChem CID 62328876) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid
PubChem CID62328876
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid
SMILESCCCOc1ccc(NC(=O)NC(CCC)C(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-3-5-13(14(18)19)17-15(20)16-11-6-8-12(9-7-11)21-10-4-2/h6-9,13H,3-5,10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyCFVXHQTVHRJGEF-UHFFFAOYSA-N
XLogP2.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835
2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid
CID 61194078
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 2044140
(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid
CID 107566268
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 944908
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 107823889
2-[[4-(cyanomethyl)phenyl]carbamoylamino]pentanoic acid
CID 62301370
(2R)-4-amino-2-[(4-ethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825613
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978
2-[(4-methoxyphenyl)carbamoylamino]-4-sulfanylbutanoic acid
CID 114212634

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid (CID 62328876) is 2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid is CCCOc1ccc(NC(=O)NC(CCC)C(=O)O)cc1.
What is the InChIKey of 2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid?
The InChIKey is CFVXHQTVHRJGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-5-13(14(18)19)17-15(20)16-11-6-8-12(9-7-11)21-10-4-2/h6-9,13H,3-5,10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid?
2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 62328876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).