(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H18N2O4 — CID 27339570

IUPAC(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCNC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-3-4-11-10(16)12-6-7(13)5-8(12)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t7-,8+/m1/s1
InChIKeyVETBOKOPZIYDTR-SFYZADRCSA-N
MW230.26 g/mol
LogP0.02
Rot. Bonds4

About (2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 27339570) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID27339570
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCNC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-3-4-11-10(16)12-6-7(13)5-8(12)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t7-,8+/m1/s1
InChIKeyVETBOKOPZIYDTR-SFYZADRCSA-N
XLogP0.02
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-1-(3-butoxypropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104864999
(2S)-4-hydroxy-1-(3-methoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61196712
(2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843034
(2S,4S)-4-hydroxy-1-(3-methylsulfinylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104866118
4-hydroxy-1-(3-methylsulfinylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113488009
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620
(2S)-1-[2-(diethylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184566
(2S,4S)-4-hydroxy-1-(2-methylsulfanylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714838
(2S)-1-[2-(carbamoylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83112729
(2S)-1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83112160
(2R,4R)-1-(hexan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999993
(2R,4R)-1-(but-3-ynylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000148

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 27339570) is (2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCCCNC(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VETBOKOPZIYDTR-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-3-4-11-10(16)12-6-7(13)5-8(12)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 27339570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).