(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C15H25NO3 — CID 135191833

IUPAC(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESC=CCCCCN(C)C(=O)[C@@H]1C[C@@H](C)C[C@H]1C(=O)O
InChIInChI=1S/C15H25NO3/c1-4-5-6-7-8-16(3)14(17)12-9-11(2)10-13(12)15(18)19/h4,11-13H,1,5-10H2,2-3H3,(H,18,19)/t11-,12-,13-/m1/s1
InChIKeyFMYWTIIUCRCXKB-JHJVBQTASA-N
MW267.37 g/mol
LogP2.55
Rot. Bonds7

About (1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 135191833) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID135191833
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESC=CCCCCN(C)C(=O)[C@@H]1C[C@@H](C)C[C@H]1C(=O)O
InChIInChI=1S/C15H25NO3/c1-4-5-6-7-8-16(3)14(17)12-9-11(2)10-13(12)15(18)19/h4,11-13H,1,5-10H2,2-3H3,(H,18,19)/t11-,12-,13-/m1/s1
InChIKeyFMYWTIIUCRCXKB-JHJVBQTASA-N
XLogP2.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 135191833) is (1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](C)C[C@H]1C(=O)O.
What is the InChIKey of (1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is FMYWTIIUCRCXKB-JHJVBQTASA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-5-6-7-8-16(3)14(17)12-9-11(2)10-13(12)15(18)19/h4,11-13H,1,5-10H2,2-3H3,(H,18,19)/t11-,12-,13-/m1/s1.
What are the key properties of (1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 135191833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).