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

C11H20N2O4 — CID 106319333

IUPACcis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-2-17-6-5-12-11(16)13-9-4-3-8(7-9)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)/t8-,9+/m1/s1
InChIKeyPMNRCASJPVUAND-BDAKNGLRSA-N
MW244.29 g/mol
LogP0.58
Rot. Bonds6

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

cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106319333) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106319333
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namecis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-2-17-6-5-12-11(16)13-9-4-3-8(7-9)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)/t8-,9+/m1/s1
InChIKeyPMNRCASJPVUAND-BDAKNGLRSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032046
cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319606
cis-(1R,3S)-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319589
3-(3-ethoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55146734
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320217
cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675280
cis-(1R,3S)-3-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320008
3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032224

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106319333) is cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid is CCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is PMNRCASJPVUAND-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-17-6-5-12-11(16)13-9-4-3-8(7-9)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.58, 6 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-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).