2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid

C15H22N2O4 — CID 81085362

IUPAC2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-17(11-12-7-4-3-5-8-12)15(20)16-13(14(18)19)9-6-10-21-2/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyZJTWXDVPQHQNLV-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.71
Rot. Bonds8

About 2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid

2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid (PubChem CID 81085362) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
PubChem CID81085362
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-17(11-12-7-4-3-5-8-12)15(20)16-13(14(18)19)9-6-10-21-2/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyZJTWXDVPQHQNLV-UHFFFAOYSA-N
XLogP1.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 62480404
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084763
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62480772
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976178
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085236
5-methoxy-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]pentanoic acid
CID 81085401
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085623
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 107566389
5-methoxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]pentanoic acid
CID 81081490

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid (CID 81085362) is 2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid is COCCCC(NC(=O)N(C)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid?
The InChIKey is ZJTWXDVPQHQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(11-12-7-4-3-5-8-12)15(20)16-13(14(18)19)9-6-10-21-2/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid?
2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81085362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).