1-oxidopyrrolidine-2-carboxylic acid

C5H8NO3- — CID 87113946

IUPAC1-oxidopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1[O-]
InChIInChI=1S/C5H8NO3/c7-5(8)4-2-1-3-6(4)9/h4H,1-3H2,(H,7,8)/q-1
InChIKeyFNUFJCXVMHWONW-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.03
Rot. Bonds1

About 1-oxidopyrrolidine-2-carboxylic acid

1-oxidopyrrolidine-2-carboxylic acid (PubChem CID 87113946) has the molecular formula C5H8NO3- and a molecular weight of 130.12 g/mol. Its IUPAC name is 1-oxidopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-oxidopyrrolidine-2-carboxylic acid
PubChem CID87113946
Molecular FormulaC5H8NO3-
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name1-oxidopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1[O-]
InChIInChI=1S/C5H8NO3/c7-5(8)4-2-1-3-6(4)9/h4H,1-3H2,(H,7,8)/q-1
InChIKeyFNUFJCXVMHWONW-UHFFFAOYSA-N
XLogP0.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-chloropyrrolidine-2-carboxylic acid
CID 25009763
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
CID 175713287
CID 175713287
azane;1-hydroxypyrrolidine-2-carboxylic acid
CID 138563399
(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate
CID 156642898
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium
CID 135530191
1-(dihydroxymethyl)pyrrolidine-2-carboxylic acid
CID 22996998
hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(4S)-1,3-bis(hydroxymethyl)-1,3-diazepane-4-carboxylic acid
CID 139592610

Frequently Asked Questions

What is the IUPAC name of 1-oxidopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-oxidopyrrolidine-2-carboxylic acid (CID 87113946) is 1-oxidopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-oxidopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-oxidopyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1[O-].
What is the InChIKey of 1-oxidopyrrolidine-2-carboxylic acid?
The InChIKey is FNUFJCXVMHWONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO3/c7-5(8)4-2-1-3-6(4)9/h4H,1-3H2,(H,7,8)/q-1.
What are the key properties of 1-oxidopyrrolidine-2-carboxylic acid?
1-oxidopyrrolidine-2-carboxylic acid has a molecular weight of 130.12 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 87113946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).