5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid

C15H22N2O4 — CID 82014553

IUPAC5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(C)cc1NC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-4-6-13(21-3)12(8-10)17-15(20)16-9-11(2)5-7-14(18)19/h4,6,8,11H,5,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyIEJXBCPHYCFXSK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.63
Rot. Bonds7

About 5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid

5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 82014553) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID82014553
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(C)cc1NC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-4-6-13(21-3)12(8-10)17-15(20)16-9-11(2)5-7-14(18)19/h4,6,8,11H,5,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyIEJXBCPHYCFXSK-UHFFFAOYSA-N
XLogP2.63
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219817
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219720
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746072
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61184429
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
4-methoxy-3-[(3-methoxy-2-methylpropyl)carbamoylamino]benzoic acid
CID 63744816
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
CID 2206228

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid (CID 82014553) is 5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid is COc1ccc(C)cc1NC(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is IEJXBCPHYCFXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-4-6-13(21-3)12(8-10)17-15(20)16-9-11(2)5-7-14(18)19/h4,6,8,11H,5,7,9H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid?
5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82014553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).