4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid

C14H19FN2O4 — CID 122088492

IUPAC4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(F)cc1NC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H19FN2O4/c1-14(2,7-6-12(18)19)17-13(20)16-10-8-9(15)4-5-11(10)21-3/h4-5,8H,6-7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyLCALMIQQVPRVHU-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.60
Rot. Bonds6

About 4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid

4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 122088492) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID122088492
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(F)cc1NC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H19FN2O4/c1-14(2,7-6-12(18)19)17-13(20)16-10-8-9(15)4-5-11(10)21-3/h4-5,8H,6-7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyLCALMIQQVPRVHU-UHFFFAOYSA-N
XLogP2.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoro-4,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122079676
4-[(2,5-difluoro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122086650
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618
3-[(2,5-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 64700824
4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122078078
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589
4-[(4,5-dichloro-2-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 122092588
4-[(4-fluoro-3-methoxycarbonyl-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122093802
4-[[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122091101
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid (CID 122088492) is 4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid is COc1ccc(F)cc1NC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is LCALMIQQVPRVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-14(2,7-6-12(18)19)17-13(20)16-10-8-9(15)4-5-11(10)21-3/h4-5,8H,6-7H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 298.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122088492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).