[(2R)-pyrrolidine-2-carbonyl]carbamic acid

C6H10N2O3 — CID 91322472

IUPAC[(2R)-pyrrolidine-2-carbonyl]carbamic acid
SMILESO=C(O)NC(=O)[C@H]1CCCN1
InChIInChI=1S/C6H10N2O3/c9-5(8-6(10)11)4-2-1-3-7-4/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1
InChIKeyPTBPJHKWNCXTHQ-SCSAIBSYSA-N
MW158.16 g/mol
LogP-0.47
Rot. Bonds1

About [(2R)-pyrrolidine-2-carbonyl]carbamic acid

[(2R)-pyrrolidine-2-carbonyl]carbamic acid (PubChem CID 91322472) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is [(2R)-pyrrolidine-2-carbonyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-pyrrolidine-2-carbonyl]carbamic acid
PubChem CID91322472
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name[(2R)-pyrrolidine-2-carbonyl]carbamic acid
SMILESO=C(O)NC(=O)[C@H]1CCCN1
InChIInChI=1S/C6H10N2O3/c9-5(8-6(10)11)4-2-1-3-7-4/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1
InChIKeyPTBPJHKWNCXTHQ-SCSAIBSYSA-N
XLogP-0.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-pyrrolidine-2-carbonyl]amino]prop-2-enoic acid
CID 131113493
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648

Frequently Asked Questions

What is the IUPAC name of [(2R)-pyrrolidine-2-carbonyl]carbamic acid?
The IUPAC name of [(2R)-pyrrolidine-2-carbonyl]carbamic acid (CID 91322472) is [(2R)-pyrrolidine-2-carbonyl]carbamic acid.
What is the SMILES notation for [(2R)-pyrrolidine-2-carbonyl]carbamic acid?
The canonical SMILES for [(2R)-pyrrolidine-2-carbonyl]carbamic acid is O=C(O)NC(=O)[C@H]1CCCN1.
What is the InChIKey of [(2R)-pyrrolidine-2-carbonyl]carbamic acid?
The InChIKey is PTBPJHKWNCXTHQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-5(8-6(10)11)4-2-1-3-7-4/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1.
What are the key properties of [(2R)-pyrrolidine-2-carbonyl]carbamic acid?
[(2R)-pyrrolidine-2-carbonyl]carbamic acid has a molecular weight of 158.16 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-pyrrolidine-2-carbonyl]carbamic acid is sourced from PubChem (CID 91322472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).