CID 175713287

C5H9NNa2O3 — CID 175713287

IUPAC—
SMILESO=C(O)[C@@H]1CCCN1O.[Na].[Na]
InChIInChI=1S/C5H9NO3.2Na/c7-5(8)4-2-1-3-6(4)9;;/h4,9H,1-3H2,(H,7,8);;/t4-;;/m0../s1
InChIKeyINXGEUMQGACGTQ-FHNDMYTFSA-N
MW177.11 g/mol
LogP-0.84
Rot. Bonds1

About CID 175713287

CID 175713287 (PubChem CID 175713287) has the molecular formula C5H9NNa2O3 and a molecular weight of 177.11 g/mol.

Molecular Properties

Compound NameCID 175713287
PubChem CID175713287
Molecular FormulaC5H9NNa2O3
Molecular Weight177.11 g/mol
Exact Mass177.04
IUPAC Name—
SMILESO=C(O)[C@@H]1CCCN1O.[Na].[Na]
InChIInChI=1S/C5H9NO3.2Na/c7-5(8)4-2-1-3-6(4)9;;/h4,9H,1-3H2,(H,7,8);;/t4-;;/m0../s1
InChIKeyINXGEUMQGACGTQ-FHNDMYTFSA-N
XLogP-0.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azane;1-hydroxypyrrolidine-2-carboxylic acid
CID 138563399
(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate
CID 156642898
2-aminoacetic acid;1-hydroxypyrrolidine-2-carboxylic acid
CID 18326979
(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
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485

Frequently Asked Questions

What is the IUPAC name of CID 175713287?
The IUPAC name of CID 175713287 (CID 175713287) is not available.
What is the SMILES notation for CID 175713287?
The canonical SMILES for CID 175713287 is O=C(O)[C@@H]1CCCN1O.[Na].[Na].
What is the InChIKey of CID 175713287?
The InChIKey is INXGEUMQGACGTQ-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H9NO3.2Na/c7-5(8)4-2-1-3-6(4)9;;/h4,9H,1-3H2,(H,7,8);;/t4-;;/m0../s1.
What are the key properties of CID 175713287?
CID 175713287 has a molecular weight of 177.11 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175713287 is sourced from PubChem (CID 175713287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).