(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid

C13H22N2O5 — CID 107838651

IUPAC(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
SMILESCCC1CCCN1C(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-2-9-5-4-8-15(9)13(20)14-10(12(18)19)6-3-7-11(16)17/h9-10H,2-8H2,1H3,(H,14,20)(H,16,17)(H,18,19)/t9?,10-/m1/s1
InChIKeyOGUKJUWMSUKYMY-QVDQXJPCSA-N
MW286.33 g/mol
LogP1.28
Rot. Bonds7

About (2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid

(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid (PubChem CID 107838651) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
PubChem CID107838651
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
SMILESCCC1CCCN1C(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-2-9-5-4-8-15(9)13(20)14-10(12(18)19)6-3-7-11(16)17/h9-10H,2-8H2,1H3,(H,14,20)(H,16,17)(H,18,19)/t9?,10-/m1/s1
InChIKeyOGUKJUWMSUKYMY-QVDQXJPCSA-N
XLogP1.28
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455
2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61209577
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826453
4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61207093
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61196765
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid?
The IUPAC name of (2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid (CID 107838651) is (2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid is CCC1CCCN1C(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid?
The InChIKey is OGUKJUWMSUKYMY-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-2-9-5-4-8-15(9)13(20)14-10(12(18)19)6-3-7-11(16)17/h9-10H,2-8H2,1H3,(H,14,20)(H,16,17)(H,18,19)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid?
(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid has a molecular weight of 286.33 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 (2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid is sourced from PubChem (CID 107838651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).