4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid

C14H20N2O4 — CID 62043312

IUPAC4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,9-8-12(17)18)16-13(19)15-10-4-6-11(20-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyFGMXKVRYNJDPPH-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.46
Rot. Bonds6

About 4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid

4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 62043312) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID62043312
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,9-8-12(17)18)16-13(19)15-10-4-6-11(20-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyFGMXKVRYNJDPPH-UHFFFAOYSA-N
XLogP2.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833
4-[[4-(3-methoxy-3-oxopropyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122079578
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
4-[(4-cyanophenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043313
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618
4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085773
4-methyl-4-[[4-(oxolan-3-yloxy)phenyl]carbamoylamino]pentanoic acid
CID 122085302
4-[4-(4-methoxyphenyl)butanoylamino]-4-methylpentanoic acid
CID 119203801
1,3-bis(4-methoxyphenyl)urea
CID 139045428
4-methyl-4-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]carbamoylamino]pentanoic acid
CID 122078725

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid (CID 62043312) is 4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid is COc1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is FGMXKVRYNJDPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,9-8-12(17)18)16-13(19)15-10-4-6-11(20-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62043312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).