(1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H23NO3 — CID 163520790

IUPAC(1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESC=CCCCCN(C)C(=O)C1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H23NO3/c1-3-4-5-6-10-15(2)13(16)11-8-7-9-12(11)14(17)18/h3,11-12H,1,4-10H2,2H3,(H,17,18)/t11?,12-/m1/s1
InChIKeyDKPSQSKDFZAXJY-PIJUOVFKSA-N
MW253.34 g/mol
LogP2.30
Rot. Bonds7

About (1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid

(1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 163520790) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID163520790
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESC=CCCCCN(C)C(=O)C1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H23NO3/c1-3-4-5-6-10-15(2)13(16)11-8-7-9-12(11)14(17)18/h3,11-12H,1,4-10H2,2H3,(H,17,18)/t11?,12-/m1/s1
InChIKeyDKPSQSKDFZAXJY-PIJUOVFKSA-N
XLogP2.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Pyrrolidine-1-carbonyl)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3148333
3-(4-Methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2862553
3-(Azepan-1-ylcarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2933650
3-[Methyl(2,2,2-trifluoroethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 60890790
3-[Propyl(2,2,2-trifluoroethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 60949031
3-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 61603305
3-[Methyl(3,3,3-trifluoropropyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 65535982
(2R,3S)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 105633790
(2R,3S)-3-[propyl(2,2,2-trifluoroethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 105635730
(2R,3S)-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 105637215
(2R,3S)-3-[methyl(3,3,3-trifluoropropyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 105639233
(2R,3S)-3-[2,2-difluoroethyl(methyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 105642317

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of (1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 163520790) is (1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid is C=CCCCCN(C)C(=O)C1CCC[C@H]1C(=O)O.
What is the InChIKey of (1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is DKPSQSKDFZAXJY-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-4-5-6-10-15(2)13(16)11-8-7-9-12(11)14(17)18/h3,11-12H,1,4-10H2,2H3,(H,17,18)/t11?,12-/m1/s1.
What are the key properties of (1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid?
(1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 163520790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).