4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid

C18H21N3O4 — CID 122085969

IUPAC4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C18H21N3O4/c1-18(2,10-9-16(22)23)21-17(24)20-13-6-5-7-14(12-13)25-15-8-3-4-11-19-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyGWHPBZRFYKPKSP-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.64
Rot. Bonds7

About 4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid

4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid (PubChem CID 122085969) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid
PubChem CID122085969
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C18H21N3O4/c1-18(2,10-9-16(22)23)21-17(24)20-13-6-5-7-14(12-13)25-15-8-3-4-11-19-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyGWHPBZRFYKPKSP-UHFFFAOYSA-N
XLogP3.64
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085773
3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid
CID 146128887
2-hydroxy-2-phenyl-N-(3-pyridin-2-yloxyphenyl)acetamide
CID 111540805
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122087422
phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline
CID 167710607
4-[[3-(cyclohexanecarbonylamino)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086280

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid (CID 122085969) is 4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid?
The InChIKey is GWHPBZRFYKPKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-18(2,10-9-16(22)23)21-17(24)20-13-6-5-7-14(12-13)25-15-8-3-4-11-19-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of 4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid?
4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid has a molecular weight of 343.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 122085969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).