cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 114173028

IUPACcis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCCO1
InChIInChI=1S/C13H22N2O4/c1-13(5-2-6-19-13)8-14-12(18)15-10-4-3-9(7-10)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)/t9-,10+,13?/m1/s1
InChIKeyFMVQCSFCKGJQGB-GDVCOKDOSA-N
MW270.33 g/mol
LogP1.11
Rot. Bonds4

About cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 114173028) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID114173028
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namecis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCCO1
InChIInChI=1S/C13H22N2O4/c1-13(5-2-6-19-13)8-14-12(18)15-10-4-3-9(7-10)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)/t9-,10+,13?/m1/s1
InChIKeyFMVQCSFCKGJQGB-GDVCOKDOSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320224
cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173120
3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114117009
1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea
CID 124618765
4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024696
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105419513
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
cis-(1R,3S)-2,2-dimethyl-3-[(2-methyloxolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114092591
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 114173028) is cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is CC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCCO1.
What is the InChIKey of cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FMVQCSFCKGJQGB-GDVCOKDOSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(5-2-6-19-13)8-14-12(18)15-10-4-3-9(7-10)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)/t9-,10+,13?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.11, 4 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-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).