trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid

C10H17NO2 — CID 89327370

IUPACtrans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid
SMILESC=N[C@@H]1CC[C@@](C(=O)O)(C(C)C)C1
InChIInChI=1S/C10H17NO2/c1-7(2)10(9(12)13)5-4-8(6-10)11-3/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-,10+/m1/s1
InChIKeyNRJHQZFJZCFOOH-SCZZXKLOSA-N
MW183.25 g/mol
LogP1.97
Rot. Bonds3

About trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid

trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid (PubChem CID 89327370) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid
PubChem CID89327370
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametrans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid
SMILESC=N[C@@H]1CC[C@@](C(=O)O)(C(C)C)C1
InChIInChI=1S/C10H17NO2/c1-7(2)10(9(12)13)5-4-8(6-10)11-3/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-,10+/m1/s1
InChIKeyNRJHQZFJZCFOOH-SCZZXKLOSA-N
XLogP1.97
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
trans-(1R,3S)-3-(oxan-2-yloxy)-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 67215035
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 129465596
4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid
CID 130531637
1-butan-2-yl-4-methylcyclohexane-1-carboxylic acid
CID 79424984
trans-(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentane-1-carboxylic acid
CID 58629612
1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
3-propan-2-yl-1-(thian-4-yl)pyrrolidine-3-carboxylic acid
CID 106984771
2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid
CID 158194042
(3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 56981865

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid (CID 89327370) is trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid is C=N[C@@H]1CC[C@@](C(=O)O)(C(C)C)C1.
What is the InChIKey of trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is NRJHQZFJZCFOOH-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)10(9(12)13)5-4-8(6-10)11-3/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-,10+/m1/s1.
What are the key properties of trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid?
trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-(methylideneamino)-1-propan-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 89327370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).