3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid

C15H22N2O4 — CID 81085361

IUPAC3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)Nc1c(C)cccc1C(C)C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-9(2)11-7-5-6-10(3)13(11)17-15(20)16-12(8-21-4)14(18)19/h5-7,9,12H,8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyFUKKTBHCJTZARK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.34
Rot. Bonds6

About 3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid

3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid (PubChem CID 81085361) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
PubChem CID81085361
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)Nc1c(C)cccc1C(C)C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-9(2)11-7-5-6-10(3)13(11)17-15(20)16-12(8-21-4)14(18)19/h5-7,9,12H,8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyFUKKTBHCJTZARK-UHFFFAOYSA-N
XLogP2.34
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 107825731
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3839296
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
2-methoxy-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 106109616
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085087
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 111462613

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid (CID 81085361) is 3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid is COCC(NC(=O)Nc1c(C)cccc1C(C)C)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The InChIKey is FUKKTBHCJTZARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(2)11-7-5-6-10(3)13(11)17-15(20)16-12(8-21-4)14(18)19/h5-7,9,12H,8H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 81085361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).