trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid

C9H13NO3 — CID 138491258

IUPACtrans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid
SMILESC=CC(=O)N[C@@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H13NO3/c1-2-8(11)10-7-4-3-6(5-7)9(12)13/h2,6-7H,1,3-5H2,(H,10,11)(H,12,13)/t6-,7-/m1/s1
InChIKeyQWIHKKIRJMLCGT-RNFRBKRXSA-N
MW183.21 g/mol
LogP0.54
Rot. Bonds3

About trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid

trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid (PubChem CID 138491258) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid
PubChem CID138491258
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nametrans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid
SMILESC=CC(=O)N[C@@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H13NO3/c1-2-8(11)10-7-4-3-6(5-7)9(12)13/h2,6-7H,1,3-5H2,(H,10,11)(H,12,13)/t6-,7-/m1/s1
InChIKeyQWIHKKIRJMLCGT-RNFRBKRXSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid
CID 170330280
cis-(1R,3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 57874047
cis-(1S,3R)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 57874102
4-(Prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 60808068
3-Acetamidocyclopentane-1-carboxylic acid
CID 65439115
3-(Prop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 65998261
3-Propanamidocyclopentane-1-carboxylic acid
CID 66030513
3-(2-Methylpropanoylamino)cyclopentane-1-carboxylic acid
CID 66030912
3-(2,2-Dimethylpropanoylamino)cyclopentane-1-carboxylic acid
CID 66032892
(1R,3S)-3-Propionylamino-cyclopentanecarboxylic acid
CID 67112454
5-(Prop-2-enoylamino)hexanoic acid
CID 82854322
(3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 89374193

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid (CID 138491258) is trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid is C=CC(=O)N[C@@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is QWIHKKIRJMLCGT-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-8(11)10-7-4-3-6(5-7)9(12)13/h2,6-7H,1,3-5H2,(H,10,11)(H,12,13)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid?
trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 138491258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).