(1S)-3-iminocyclopentane-1-carboxylic acid

C6H9NO2 — CID 138456917

IUPAC(1S)-3-iminocyclopentane-1-carboxylic acid
SMILES[H]/N=C1\CC[C@H](C(=O)O)C1
InChIInChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h4,7H,1-3H2,(H,8,9)/b7-5+/t4-/m0/s1
InChIKeySJORSQVJBSLZHL-LXZBKHJPSA-N
MW127.14 g/mol
LogP0.89
Rot. Bonds1

About (1S)-3-iminocyclopentane-1-carboxylic acid

(1S)-3-iminocyclopentane-1-carboxylic acid (PubChem CID 138456917) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (1S)-3-iminocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-3-iminocyclopentane-1-carboxylic acid
PubChem CID138456917
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(1S)-3-iminocyclopentane-1-carboxylic acid
SMILES[H]/N=C1\CC[C@H](C(=O)O)C1
InChIInChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h4,7H,1-3H2,(H,8,9)/b7-5+/t4-/m0/s1
InChIKeySJORSQVJBSLZHL-LXZBKHJPSA-N
XLogP0.89
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-oxocyclopentane-1-carboxylic acid
CID 175785263
N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide
CID 146670867
3-methylidenecyclopentane-1-carboxylic acid
CID 18614353
ethane;1-(3-iminocyclopentyl)propan-2-one
CID 176955658
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
(1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid
CID 129024324
(3E)-3-hydroxyiminocyclopentane-1-carboxylic acid
CID 6091857
(1S)-3-oxocyclooctane-1-carboxylic acid
CID 100621947
(1R)-2-iminocyclohexane-1-carboxylic acid
CID 86316627
1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid
CID 140510745
cyclopentanecarboxylic acid
CID 18840
cyclopentanecarboxylic acid;indigane
CID 173230713

Frequently Asked Questions

What is the IUPAC name of (1S)-3-iminocyclopentane-1-carboxylic acid?
The IUPAC name of (1S)-3-iminocyclopentane-1-carboxylic acid (CID 138456917) is (1S)-3-iminocyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S)-3-iminocyclopentane-1-carboxylic acid?
The canonical SMILES for (1S)-3-iminocyclopentane-1-carboxylic acid is [H]/N=C1\CC[C@H](C(=O)O)C1.
What is the InChIKey of (1S)-3-iminocyclopentane-1-carboxylic acid?
The InChIKey is SJORSQVJBSLZHL-LXZBKHJPSA-N. The full InChI is InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h4,7H,1-3H2,(H,8,9)/b7-5+/t4-/m0/s1.
What are the key properties of (1S)-3-iminocyclopentane-1-carboxylic acid?
(1S)-3-iminocyclopentane-1-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-iminocyclopentane-1-carboxylic acid is sourced from PubChem (CID 138456917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).