4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid

C14H22N2O3S — CID 79487438

IUPAC4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)N(C)CCc1cccs1)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-10(2)9-12(13(17)18)15-14(19)16(3)7-6-11-5-4-8-20-11/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyVBOBUXXZYAYWCT-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.43
Rot. Bonds7

About 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid

4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid (PubChem CID 79487438) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
PubChem CID79487438
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)N(C)CCc1cccs1)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-10(2)9-12(13(17)18)15-14(19)16(3)7-6-11-5-4-8-20-11/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyVBOBUXXZYAYWCT-UHFFFAOYSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-3-hydroxy-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487158
(2R)-4-hydroxy-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 114005739
(2S)-3-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79486957
4-methylsulfanyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79487537
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437379
(2S)-4-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 61155171
(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 78976302
(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976178
(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-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide
CID 79487982
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid (CID 79487438) is 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid is CC(C)CC(NC(=O)N(C)CCc1cccs1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is VBOBUXXZYAYWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)9-12(13(17)18)15-14(19)16(3)7-6-11-5-4-8-20-11/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid?
4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 298.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 79487438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).