2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid

C16H30N2O3 — CID 106975363

IUPAC2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid
SMILESCCCC1(C(=O)NC(C)CCCC(C)C(=O)O)CCCN1
InChIInChI=1S/C16H30N2O3/c1-4-9-16(10-6-11-17-16)15(21)18-13(3)8-5-7-12(2)14(19)20/h12-13,17H,4-11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyJXWAENMOOSGTQV-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.30
Rot. Bonds9

About 2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid

2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid (PubChem CID 106975363) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid
PubChem CID106975363
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid
SMILESCCCC1(C(=O)NC(C)CCCC(C)C(=O)O)CCCN1
InChIInChI=1S/C16H30N2O3/c1-4-9-16(10-6-11-17-16)15(21)18-13(3)8-5-7-12(2)14(19)20/h12-13,17H,4-11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyJXWAENMOOSGTQV-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 106974810
(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 106974844
2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 83072051
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975742
1-[(2-propylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106974817
N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide
CID 106975117
N-(2,3-dimethylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975317
N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975300
2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
CID 83071390
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975744
N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide
CID 106975717
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid?
The IUPAC name of 2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid (CID 106975363) is 2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid is CCCC1(C(=O)NC(C)CCCC(C)C(=O)O)CCCN1.
What is the InChIKey of 2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid?
The InChIKey is JXWAENMOOSGTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-9-16(10-6-11-17-16)15(21)18-13(3)8-5-7-12(2)14(19)20/h12-13,17H,4-11H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid?
2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 106975363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).