N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide

C9H18N2O3 — CID 61275078

IUPACN-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
SMILESCOC(CNC(=O)C1CCCN1)OC
InChIInChI=1S/C9H18N2O3/c1-13-8(14-2)6-11-9(12)7-4-3-5-10-7/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyGCWUVLHUUIXZER-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.53
Rot. Bonds5

About N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide

N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 61275078) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
PubChem CID61275078
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
SMILESCOC(CNC(=O)C1CCCN1)OC
InChIInChI=1S/C9H18N2O3/c1-13-8(14-2)6-11-9(12)7-4-3-5-10-7/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyGCWUVLHUUIXZER-UHFFFAOYSA-N
XLogP-0.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
N-(2-methoxypropyl)azepane-2-carboxamide
CID 102694927
3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103157063
2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
CID 106109025
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119338461
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
CID 103157185
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
N-(2-cyclopropyl-2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 63297013
(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
CID 148575646
2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 65224542

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide (CID 61275078) is N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide is COC(CNC(=O)C1CCCN1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is GCWUVLHUUIXZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-13-8(14-2)6-11-9(12)7-4-3-5-10-7/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide?
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61275078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).