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

C10H15NO4 — CID 106320412

IUPACcis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid
SMILESC=CCOC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H15NO4/c1-2-5-15-10(14)11-8-4-3-7(6-8)9(12)13/h2,7-8H,1,3-6H2,(H,11,14)(H,12,13)/t7-,8+/m1/s1
InChIKeyNGQXYMWNXYYZBR-SFYZADRCSA-N
MW213.23 g/mol
LogP1.15
Rot. Bonds4

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

cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 106320412) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid
PubChem CID106320412
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namecis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid
SMILESC=CCOC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H15NO4/c1-2-5-15-10(14)11-8-4-3-7(6-8)9(12)13/h2,7-8H,1,3-6H2,(H,11,14)(H,12,13)/t7-,8+/m1/s1
InChIKeyNGQXYMWNXYYZBR-SFYZADRCSA-N
XLogP1.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid (CID 106320412) is cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid is C=CCOC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is NGQXYMWNXYYZBR-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-5-15-10(14)11-8-4-3-7(6-8)9(12)13/h2,7-8H,1,3-6H2,(H,11,14)(H,12,13)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).