(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid

C11H18N2O4 — CID 45259039

IUPAC(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
SMILESO=C([C@@H]1CCCN1C(=O)O)N1CCC[C@H]1CO
InChIInChI=1S/C11H18N2O4/c14-7-8-3-1-5-12(8)10(15)9-4-2-6-13(9)11(16)17/h8-9,14H,1-7H2,(H,16,17)/t8-,9-/m0/s1
InChIKeyRSWHSIIOZFJOAM-IUCAKERBSA-N
MW242.27 g/mol
LogP0.11
Rot. Bonds2

About (2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid

(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (PubChem CID 45259039) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
PubChem CID45259039
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
SMILESO=C([C@@H]1CCCN1C(=O)O)N1CCC[C@H]1CO
InChIInChI=1S/C11H18N2O4/c14-7-8-3-1-5-12(8)10(15)9-4-2-6-13(9)11(16)17/h8-9,14H,1-7H2,(H,16,17)/t8-,9-/m0/s1
InChIKeyRSWHSIIOZFJOAM-IUCAKERBSA-N
XLogP0.11
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 107214343
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid
CID 23110559
cyclopropyl-[2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 62468618
2-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116634329
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (CID 45259039) is (2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid is O=C([C@@H]1CCCN1C(=O)O)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
The InChIKey is RSWHSIIOZFJOAM-IUCAKERBSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-7-8-3-1-5-12(8)10(15)9-4-2-6-13(9)11(16)17/h8-9,14H,1-7H2,(H,16,17)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid?
(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 45259039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).