(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H20N2O4 — CID 63843531

IUPAC(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCNC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-12-11(2,3)10(17)13-6-7(14)5-8(13)9(15)16/h7-8,12,14H,4-6H2,1-3H3,(H,15,16)/t7-,8+/m1/s1
InChIKeyVYYCEJZHSAMTAB-SFYZADRCSA-N
MW244.29 g/mol
LogP-0.58
Rot. Bonds4

About (2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63843531) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63843531
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCNC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-12-11(2,3)10(17)13-6-7(14)5-8(13)9(15)16/h7-8,12,14H,4-6H2,1-3H3,(H,15,16)/t7-,8+/m1/s1
InChIKeyVYYCEJZHSAMTAB-SFYZADRCSA-N
XLogP-0.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2S,4R)-1-[3-(ethylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844036
4-hydroxy-1-propanethioylpyrrolidine-2-carboxylic acid
CID 20648963
(2S,4R)-1-(2-tert-butylsulfanylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778378
4-hydroxy-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 62846717
(2R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778390
4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43183753
4-hydroxy-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63960076
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 107220750
(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842673

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 63843531) is (2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCNC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VYYCEJZHSAMTAB-SFYZADRCSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-12-11(2,3)10(17)13-6-7(14)5-8(13)9(15)16/h7-8,12,14H,4-6H2,1-3H3,(H,15,16)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63843531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).