N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C9H18ClN3O2 — CID 131159808

IUPACN-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNC1)C1CC(O)CN1
InChIInChI=1S/C9H17N3O2.ClH/c13-7-1-8(11-5-7)9(14)12-4-6-2-10-3-6;/h6-8,10-11,13H,1-5H2,(H,12,14);1H
InChIKeyFPESKIUZRHMGMU-UHFFFAOYSA-N
MW235.71 g/mol
LogP-1.53
Rot. Bonds3

About N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 131159808) has the molecular formula C9H18ClN3O2 and a molecular weight of 235.71 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID131159808
Molecular FormulaC9H18ClN3O2
Molecular Weight235.71 g/mol
Exact Mass235.11
IUPAC NameN-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNC1)C1CC(O)CN1
InChIInChI=1S/C9H17N3O2.ClH/c13-7-1-8(11-5-7)9(14)12-4-6-2-10-3-6;/h6-8,10-11,13H,1-5H2,(H,12,14);1H
InChIKeyFPESKIUZRHMGMU-UHFFFAOYSA-N
XLogP-1.53
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119756559
N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119755043
N-[(2,2-dimethylcyclopropyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119785412
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119861445
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 55234438
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 80584481
4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 60856640

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 131159808) is N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1CNC1)C1CC(O)CN1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FPESKIUZRHMGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.ClH/c13-7-1-8(11-5-7)9(14)12-4-6-2-10-3-6;/h6-8,10-11,13H,1-5H2,(H,12,14);1H.
What are the key properties of N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of -1.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 131159808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).