(3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide

C12H22N2O3 — CID 146088458

IUPAC(3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide
SMILESCO[C@H]1CCN(C(=O)NCCC2(O)CCC2)C1
InChIInChI=1S/C12H22N2O3/c1-17-10-3-8-14(9-10)11(15)13-7-6-12(16)4-2-5-12/h10,16H,2-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyQWKUPFSGNQOXTK-JTQLQIEISA-N
MW242.32 g/mol
LogP0.72
Rot. Bonds4

About (3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide

(3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide (PubChem CID 146088458) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide
PubChem CID146088458
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide
SMILESCO[C@H]1CCN(C(=O)NCCC2(O)CCC2)C1
InChIInChI=1S/C12H22N2O3/c1-17-10-3-8-14(9-10)11(15)13-7-6-12(16)4-2-5-12/h10,16H,2-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyQWKUPFSGNQOXTK-JTQLQIEISA-N
XLogP0.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103536134
N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 122562793
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid
CID 103536320
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
(3aS,6aR)-2-[2-(1-hydroxycyclobutyl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122013769
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 102962837

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide (CID 146088458) is (3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide is CO[C@H]1CCN(C(=O)NCCC2(O)CCC2)C1.
What is the InChIKey of (3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide?
The InChIKey is QWKUPFSGNQOXTK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-17-10-3-8-14(9-10)11(15)13-7-6-12(16)4-2-5-12/h10,16H,2-9H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide?
(3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 146088458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).