N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide

C9H16N2O3 — CID 130688496

IUPACN-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1O)C1CCNC1
InChIInChI=1S/C9H16N2O3/c12-8-5-14-4-7(8)11-9(13)6-1-2-10-3-6/h6-8,10,12H,1-5H2,(H,11,13)/t6?,7-,8-/m1/s1
InChIKeyPMYBCFFXQAVGTH-SPDVFEMOSA-N
MW200.24 g/mol
LogP-1.53
Rot. Bonds2

About N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide

N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide (PubChem CID 130688496) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide
PubChem CID130688496
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1O)C1CCNC1
InChIInChI=1S/C9H16N2O3/c12-8-5-14-4-7(8)11-9(13)6-1-2-10-3-6/h6-8,10,12H,1-5H2,(H,11,13)/t6?,7-,8-/m1/s1
InChIKeyPMYBCFFXQAVGTH-SPDVFEMOSA-N
XLogP-1.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyloxolan-3-yl)pyrrolidine-3-carboxamide
CID 164659164
N-(2-hydroxycyclopentyl)pyrrolidine-3-carboxamide
CID 130671373
N-(2-methylcyclopropyl)pyrrolidine-3-carboxamide
CID 63006462
(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide
CID 81134235
(3S)-N-(2-cyclopropylcyclopropyl)pyrrolidine-3-carboxamide
CID 130763155
(3S)-N-(2-methyloxolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130747909
2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 64817965
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065
N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide
CID 131140597
2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814811
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]piperidine-4-carboxamide
CID 122557604
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130644756

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide (CID 130688496) is N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide is O=C(N[C@@H]1COC[C@H]1O)C1CCNC1.
What is the InChIKey of N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is PMYBCFFXQAVGTH-SPDVFEMOSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8-5-14-4-7(8)11-9(13)6-1-2-10-3-6/h6-8,10,12H,1-5H2,(H,11,13)/t6?,7-,8-/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide?
N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 130688496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).