(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid

C14H22N2O5 — CID 61152370

IUPAC(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CN1CC(C(=O)N2CC(O)C[C@H]2C(=O)O)CC1=O
InChIInChI=1S/C14H22N2O5/c1-8(2)5-15-6-9(3-12(15)18)13(19)16-7-10(17)4-11(16)14(20)21/h8-11,17H,3-7H2,1-2H3,(H,20,21)/t9?,10?,11-/m0/s1
InChIKeyFSAQYWXNYDQHAS-ILDUYXDCSA-N
MW298.34 g/mol
LogP-0.46
Rot. Bonds4

About (2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 61152370) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID61152370
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CN1CC(C(=O)N2CC(O)C[C@H]2C(=O)O)CC1=O
InChIInChI=1S/C14H22N2O5/c1-8(2)5-15-6-9(3-12(15)18)13(19)16-7-10(17)4-11(16)14(20)21/h8-11,17H,3-7H2,1-2H3,(H,20,21)/t9?,10?,11-/m0/s1
InChIKeyFSAQYWXNYDQHAS-ILDUYXDCSA-N
XLogP-0.46
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001063
(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841632
(2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 79000621
1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356008
(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844018
(2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83192599
N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51077779
(2S,4R)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83192354
4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 81208844
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 61152370) is (2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid is CC(C)CN1CC(C(=O)N2CC(O)C[C@H]2C(=O)O)CC1=O.
What is the InChIKey of (2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FSAQYWXNYDQHAS-ILDUYXDCSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-8(2)5-15-6-9(3-12(15)18)13(19)16-7-10(17)4-11(16)14(20)21/h8-11,17H,3-7H2,1-2H3,(H,20,21)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61152370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).