(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid

C11H20N2O4 — CID 107826455

IUPAC(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCCC1CCCN1C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-8-4-3-6-13(8)11(17)12-9(5-7-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyRECCWNZKXTWRTQ-GKAPJAKFSA-N
MW244.29 g/mol
LogP0.41
Rot. Bonds5

About (2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid

(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 107826455) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID107826455
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCCC1CCCN1C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-8-4-3-6-13(8)11(17)12-9(5-7-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyRECCWNZKXTWRTQ-GKAPJAKFSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
CID 107838651
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 55128193
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107828734
2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61209577
4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 62478870
(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 114005601
(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
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61196765
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid (CID 107826455) is (2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid is CCC1CCCN1C(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is RECCWNZKXTWRTQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-8-4-3-6-13(8)11(17)12-9(5-7-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107826455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).