cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C11H18N2O3 — CID 106319286

IUPACcis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-13(9-4-5-9)11(16)12-8-3-2-7(6-8)10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,8+/m1/s1
InChIKeyGPINWVRVDYPQKU-SFYZADRCSA-N
MW226.28 g/mol
LogP1.04
Rot. Bonds3

About cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319286) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319286
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namecis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-13(9-4-5-9)11(16)12-8-3-2-7(6-8)10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,8+/m1/s1
InChIKeyGPINWVRVDYPQKU-SFYZADRCSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 3-(but-3-yn-2-ylcarbamoylamino)cyclopentane-1-carboxylate
CID 86819591
Methyl 3-(2,2-difluoroethylcarbamoylamino)cyclopentane-1-carboxylate
CID 91652694
3-(3,3,3-Trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030262
3-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031225
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031840
3-(2,2,2-Trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
3-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032043
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032044
3-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032652
3-[[3-(Trifluoromethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 66032653
3-[[4-(Trifluoromethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 66032654

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319286) is cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C1CC1.
What is the InChIKey of cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is GPINWVRVDYPQKU-SFYZADRCSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13(9-4-5-9)11(16)12-8-3-2-7(6-8)10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).