1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid

C13H24N2O4 — CID 122002874

IUPAC1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCCCC(COC)NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-4-5-11(9-19-2)14-13(18)15-7-6-10(8-15)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyKQSCRYKJOVTNQR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds7

About 1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid

1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 122002874) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID122002874
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCCCC(COC)NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-4-5-11(9-19-2)14-13(18)15-7-6-10(8-15)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyKQSCRYKJOVTNQR-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004823
N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide
CID 116656284
1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103253640
2-(cyclopropylmethylamino)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795716
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032091
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145229
1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032946
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
N-(1-methoxypentan-2-yl)morpholine-4-carboxamide
CID 116656280

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 122002874) is 1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid is CCCCC(COC)NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KQSCRYKJOVTNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-4-5-11(9-19-2)14-13(18)15-7-6-10(8-15)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122002874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).