(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H20N2O4 — CID 63842673

IUPAC(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCNC(C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-12-7(2)4-10(15)13-6-8(14)5-9(13)11(16)17/h7-9,12,14H,3-6H2,1-2H3,(H,16,17)/t7?,8-,9+/m1/s1
InChIKeyNXOPATHGCAACOD-ASODMVGOSA-N
MW244.29 g/mol
LogP-0.58
Rot. Bonds5

About (2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63842673) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63842673
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCNC(C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-12-7(2)4-10(15)13-6-8(14)5-9(13)11(16)17/h7-9,12,14H,3-6H2,1-2H3,(H,16,17)/t7?,8-,9+/m1/s1
InChIKeyNXOPATHGCAACOD-ASODMVGOSA-N
XLogP-0.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81079737
4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157499
(2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81086839
3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837991
(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
CID 66263250
(2S,4R)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81079611
(2S,4R)-1-[3-(ethylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844036
(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
(2S)-4-hydroxy-1-(2-propan-2-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 61152101
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103156006

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 63842673) is (2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCNC(C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is NXOPATHGCAACOD-ASODMVGOSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-12-7(2)4-10(15)13-6-8(14)5-9(13)11(16)17/h7-9,12,14H,3-6H2,1-2H3,(H,16,17)/t7?,8-,9+/m1/s1.
What are the key properties of (2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63842673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).