2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid

C13H24N2O3 — CID 83072051

IUPAC2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C1(CC)CCCN1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-5-7-10(11(16)17)15-12(18)13(4-2)8-6-9-14-13/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyALRCMKOXPOQTJQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.28
Rot. Bonds7

About 2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid

2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid (PubChem CID 83072051) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid
PubChem CID83072051
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C1(CC)CCCN1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-5-7-10(11(16)17)15-12(18)13(4-2)8-6-9-14-13/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyALRCMKOXPOQTJQ-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104901997
4-methylsulfonyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 106974810
2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid
CID 106975363
2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
CID 83071456
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
CID 83071390
2-[(3-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 63141860
methyl (2S)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylbutanoate
CID 83071488
(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 106974844
5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 104597036
2-ethyl-N-propylsulfonylpyrrolidine-2-carboxamide
CID 103307585
(2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
CID 107315099

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid (CID 83072051) is 2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)C1(CC)CCCN1)C(=O)O.
What is the InChIKey of 2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The InChIKey is ALRCMKOXPOQTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-5-7-10(11(16)17)15-12(18)13(4-2)8-6-9-14-13/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid?
2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 83072051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).