2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid

C14H21N3O4 — CID 82731415

IUPAC2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid
SMILESCCc1cccnc1CNC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C14H21N3O4/c1-3-10-5-4-7-15-12(10)9-16-14(20)17-11(13(18)19)6-8-21-2/h4-5,7,11H,3,6,8-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyXFIRPMCKCNCAER-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.93
Rot. Bonds8

About 2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid

2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid (PubChem CID 82731415) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid
PubChem CID82731415
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid
SMILESCCc1cccnc1CNC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C14H21N3O4/c1-3-10-5-4-7-15-12(10)9-16-14(20)17-11(13(18)19)6-8-21-2/h4-5,7,11H,3,6,8-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyXFIRPMCKCNCAER-UHFFFAOYSA-N
XLogP0.93
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 82749098
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
4-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107840748
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-3-methoxypropanamide
CID 82738332
(2S)-5-amino-2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 63309082
4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 62480587
4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 82873698
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
4-methoxy-2-(1-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 62480423
2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82737778

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid (CID 82731415) is 2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid is CCc1cccnc1CNC(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid?
The InChIKey is XFIRPMCKCNCAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-10-5-4-7-15-12(10)9-16-14(20)17-11(13(18)19)6-8-21-2/h4-5,7,11H,3,6,8-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid?
2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 82731415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).