cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid

C12H22N2O3 — CID 106319362

IUPACcis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)7-13-11(17)14-9-5-4-8(6-9)10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,17)/t8-,9+/m1/s1
InChIKeyAUKDEGHXWVIQJI-BDAKNGLRSA-N
MW242.32 g/mol
LogP1.59
Rot. Bonds3

About cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106319362) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106319362
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namecis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)7-13-11(17)14-9-5-4-8(6-9)10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,17)/t8-,9+/m1/s1
InChIKeyAUKDEGHXWVIQJI-BDAKNGLRSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
cis-(1R,3S)-3-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320217
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-[(2-ethyl-2-methylsulfanylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320429
3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043352
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
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
4-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122007737

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106319362) is cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid is CC(C)(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is AUKDEGHXWVIQJI-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)7-13-11(17)14-9-5-4-8(6-9)10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,17)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.59, 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-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).