(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate

C5H11NO4 — CID 156642898

IUPAC(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate
SMILESO.O=C(O)[C@@H]1CCCN1O
InChIInChI=1S/C5H9NO3.H2O/c7-5(8)4-2-1-3-6(4)9;/h4,9H,1-3H2,(H,7,8);1H2/t4-;/m0./s1
InChIKeyRQVXUKURXZZJBY-WCCKRBBISA-N
MW149.15 g/mol
LogP-0.90
Rot. Bonds1

About (2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate

(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate (PubChem CID 156642898) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate.

Molecular Properties

Compound Name(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate
PubChem CID156642898
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate
SMILESO.O=C(O)[C@@H]1CCCN1O
InChIInChI=1S/C5H9NO3.H2O/c7-5(8)4-2-1-3-6(4)9;/h4,9H,1-3H2,(H,7,8);1H2/t4-;/m0./s1
InChIKeyRQVXUKURXZZJBY-WCCKRBBISA-N
XLogP-0.90
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 175713287
CID 175713287
azane;1-hydroxypyrrolidine-2-carboxylic acid
CID 138563399
2-aminoacetic acid;1-hydroxypyrrolidine-2-carboxylic acid
CID 18326979
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(2R)-2,5-diamino-5-oxopentanoic acid;(2S)-1-hydroxypyrrolidine-2-carboxylic acid
CID 67068650
(2S)-1-chloropyrrolidine-2-carboxylic acid
CID 25009763
(2S)-1-(dioxetan-3-yl)pyrrolidine-2-carboxylic acid
CID 87275631
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
1-oxidopyrrolidine-2-carboxylic acid
CID 87113946
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
phosphanyl 1-hydroxypyrrolidine-2-carboxylate
CID 164576898
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436

Frequently Asked Questions

What is the IUPAC name of (2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate?
The IUPAC name of (2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate (CID 156642898) is (2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate.
What is the SMILES notation for (2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate?
The canonical SMILES for (2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate is O.O=C(O)[C@@H]1CCCN1O.
What is the InChIKey of (2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate?
The InChIKey is RQVXUKURXZZJBY-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO3.H2O/c7-5(8)4-2-1-3-6(4)9;/h4,9H,1-3H2,(H,7,8);1H2/t4-;/m0./s1.
What are the key properties of (2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate?
(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate has a molecular weight of 149.15 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate is sourced from PubChem (CID 156642898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).