cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H23N3O3S — CID 106326297

IUPACcis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCCN1CCSCC1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H23N3O3S/c17-12(18)10-1-2-11(9-10)15-13(19)14-3-4-16-5-7-20-8-6-16/h10-11H,1-9H2,(H,17,18)(H2,14,15,19)/t10-,11+/m1/s1
InChIKeyVONLCPPMQRZWAR-MNOVXSKESA-N
MW301.41 g/mol
LogP0.59
Rot. Bonds5

About cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106326297) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106326297
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Namecis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCCN1CCSCC1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H23N3O3S/c17-12(18)10-1-2-11(9-10)15-13(19)14-3-4-16-5-7-20-8-6-16/h10-11H,1-9H2,(H,17,18)(H2,14,15,19)/t10-,11+/m1/s1
InChIKeyVONLCPPMQRZWAR-MNOVXSKESA-N
XLogP0.59
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106326768
cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320196
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
N-cyclopropyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325201
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one
CID 142100841
1-(2-thiomorpholin-4-ylethylcarbamoyl)azepane-2-carboxylic acid
CID 106326254
cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173693
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319333

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106326297) is cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCCN1CCSCC1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is VONLCPPMQRZWAR-MNOVXSKESA-N. The full InChI is InChI=1S/C13H23N3O3S/c17-12(18)10-1-2-11(9-10)15-13(19)14-3-4-16-5-7-20-8-6-16/h10-11H,1-9H2,(H,17,18)(H2,14,15,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 301.41 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106326297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).