2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid

C14H22N2O4S — CID 81084411

IUPAC2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid
SMILESCCN(Cc1cccs1)C(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-3-16(10-11-6-5-9-21-11)14(19)15-12(13(17)18)7-4-8-20-2/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyXBDLLSRUMHUVPF-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.16
Rot. Bonds9

About 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid

2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid (PubChem CID 81084411) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid
PubChem CID81084411
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid
SMILESCCN(Cc1cccs1)C(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-3-16(10-11-6-5-9-21-11)14(19)15-12(13(17)18)7-4-8-20-2/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyXBDLLSRUMHUVPF-UHFFFAOYSA-N
XLogP2.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 61437777
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437379
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62478659
(2R)-2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566203
(2S)-2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566202
2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085362
5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966393
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084763
2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61421365
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085236
1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115571943

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid (CID 81084411) is 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid is CCN(Cc1cccs1)C(=O)NC(CCCOC)C(=O)O.
What is the InChIKey of 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid?
The InChIKey is XBDLLSRUMHUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-16(10-11-6-5-9-21-11)14(19)15-12(13(17)18)7-4-8-20-2/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid?
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid has a molecular weight of 314.41 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81084411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).