cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C14H26N2O4 — CID 106319531

IUPACcis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCC(CC)N(CCO)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-3-12(4-2)16(7-8-17)14(20)15-11-6-5-10(9-11)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10-,11+/m1/s1
InChIKeyZWFMLCFJIVSYOY-MNOVXSKESA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds7

About cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319531) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319531
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namecis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCC(CC)N(CCO)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-3-12(4-2)16(7-8-17)14(20)15-11-6-5-10(9-11)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10-,11+/m1/s1
InChIKeyZWFMLCFJIVSYOY-MNOVXSKESA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1R,3S)-3-[(2-ethylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylate
CID 121588206
3-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66030067
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-[[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-[2-(2,2-Difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 105918914
3-(4,4,4-Trifluorobutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 105945202
cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319562
cis-(1R,3S)-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319566
cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319567

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319531) is cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCC(CC)N(CCO)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZWFMLCFJIVSYOY-MNOVXSKESA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-12(4-2)16(7-8-17)14(20)15-11-6-5-10(9-11)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).