cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid

C9H16N2O3 — CID 106321445

IUPACcis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-2-10-9(14)11-7-4-3-6(5-7)8(12)13/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/t6-,7+/m1/s1
InChIKeyXRFLMWMKTMWXAD-RQJHMYQMSA-N
MW200.24 g/mol
LogP0.56
Rot. Bonds3

About cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106321445) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106321445
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namecis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-2-10-9(14)11-7-4-3-6(5-7)8(12)13/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/t6-,7+/m1/s1
InChIKeyXRFLMWMKTMWXAD-RQJHMYQMSA-N
XLogP0.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320505
3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032224
cis-(1R,3S)-3-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320008
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319333
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
cis-(1R,3S)-3-[(2-ethyl-2-methylsulfanylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320429
cis-(1R,3S)-3-[(2-ethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320416
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106321445) is cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid is CCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is XRFLMWMKTMWXAD-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-10-9(14)11-7-4-3-6(5-7)8(12)13/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).