2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid

C16H24N2O4 — CID 3724243

IUPAC2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(CCNC(=O)NC(CC(C)C)C(=O)O)cc1
InChIInChI=1S/C16H24N2O4/c1-11(2)10-14(15(19)20)18-16(21)17-9-8-12-4-6-13(22-3)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeySYHZJGKGBLQNDG-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.04
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid

2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 3724243) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid
PubChem CID3724243
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(CCNC(=O)NC(CC(C)C)C(=O)O)cc1
InChIInChI=1S/C16H24N2O4/c1-11(2)10-14(15(19)20)18-16(21)17-9-8-12-4-6-13(22-3)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeySYHZJGKGBLQNDG-UHFFFAOYSA-N
XLogP2.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
CID 78976234
(2R)-4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62315044
4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62313412
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
(2S)-4-(4-methoxyphenyl)-2-(methylcarbamoylamino)butanoic acid
CID 139604971
N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993636
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 103996278
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 62992295

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid (CID 3724243) is 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid is COc1ccc(CCNC(=O)NC(CC(C)C)C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is SYHZJGKGBLQNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(2)10-14(15(19)20)18-16(21)17-9-8-12-4-6-13(22-3)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid?
2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 308.38 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 3724243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).