5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid

C14H20N2O4S — CID 62966393

IUPAC5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(Cc1cccs1)C(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C14H20N2O4S/c1-3-16(9-11-5-4-6-21-11)14(20)15-12(17)7-10(2)8-13(18)19/h4-6,10H,3,7-9H2,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyBXJDYFRCIZCPLI-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.31
Rot. Bonds7

About 5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid

5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62966393) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID62966393
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(Cc1cccs1)C(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C14H20N2O4S/c1-3-16(9-11-5-4-6-21-11)14(20)15-12(17)7-10(2)8-13(18)19/h4-6,10H,3,7-9H2,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyBXJDYFRCIZCPLI-UHFFFAOYSA-N
XLogP2.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437379
(2S)-2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 61437777
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084411
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665
1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea
CID 61438232
3-[4-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438323
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid (CID 62966393) is 5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid is CCN(Cc1cccs1)C(=O)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is BXJDYFRCIZCPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-16(9-11-5-4-6-21-11)14(20)15-12(17)7-10(2)8-13(18)19/h4-6,10H,3,7-9H2,1-2H3,(H,18,19)(H,15,17,20).
What are the key properties of 5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 312.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62966393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).