6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid

C15H22N2O3S — CID 61435678

IUPAC6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H22N2O3S/c18-14(19)4-2-1-3-8-16-15(20)17(13-5-6-13)10-12-7-9-21-11-12/h7,9,11,13H,1-6,8,10H2,(H,16,20)(H,18,19)
InChIKeyFWDFZLVUTGZSKK-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.07
Rot. Bonds9

About 6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid

6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid (PubChem CID 61435678) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
PubChem CID61435678
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H22N2O3S/c18-14(19)4-2-1-3-8-16-15(20)17(13-5-6-13)10-12-7-9-21-11-12/h7,9,11,13H,1-6,8,10H2,(H,16,20)(H,18,19)
InChIKeyFWDFZLVUTGZSKK-UHFFFAOYSA-N
XLogP3.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.07
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

3-[(Methylcarbamoyl)amino]-3-(thiophen-3-yl)propanoic acid
CID 43811172
6-[Methyl(thiophen-3-ylmethyl)amino]-6-oxohexanoic acid
CID 43527977
6-[[Methyl(thiophen-3-ylmethyl)carbamoyl]amino]-6-oxohexanoic acid
CID 43528494
1-(Thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 43646098
1-(Thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 43646099
4-Methylsulfanyl-2-(thiophen-3-ylmethylcarbamoylamino)butanoic acid
CID 43646106
2-Cyclopropyl-2-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 43646107
4-Methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid
CID 43646109
2-(Thiophen-3-ylmethylcarbamoylamino)pentanoic acid
CID 43646110
3-Methyl-2-(thiophen-3-ylmethylcarbamoylamino)butanoic acid
CID 43646112
(2R)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 54991470
1-(Thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55174672

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid (CID 61435678) is 6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is FWDFZLVUTGZSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-14(19)4-2-1-3-8-16-15(20)17(13-5-6-13)10-12-7-9-21-11-12/h7,9,11,13H,1-6,8,10H2,(H,16,20)(H,18,19).
What are the key properties of 6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid?
6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 310.42 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 61435678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).