N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide

C10H21N2O4+ — CID 59696095

IUPACN,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide
SMILESCO[N+]1(CCO)CCCC1C(=O)NCCO
InChIInChI=1S/C10H20N2O4/c1-16-12(6-8-14)5-2-3-9(12)10(15)11-4-7-13/h9,13-14H,2-8H2,1H3/p+1
InChIKeyFNRJXZUMEZCCQV-UHFFFAOYSA-O
MW233.29 g/mol
LogP-1.37
Rot. Bonds6

About N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide

N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide (PubChem CID 59696095) has the molecular formula C10H21N2O4+ and a molecular weight of 233.29 g/mol. Its IUPAC name is N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide
PubChem CID59696095
Molecular FormulaC10H21N2O4+
Molecular Weight233.29 g/mol
Exact Mass233.15
IUPAC NameN,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide
SMILESCO[N+]1(CCO)CCCC1C(=O)NCCO
InChIInChI=1S/C10H20N2O4/c1-16-12(6-8-14)5-2-3-9(12)10(15)11-4-7-13/h9,13-14H,2-8H2,1H3/p+1
InChIKeyFNRJXZUMEZCCQV-UHFFFAOYSA-O
XLogP-1.37
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Ala-Pro-Gly
CID 11902903
H-Ala-pro-ala-OH
CID 9816556
N-acetyl-l-alanyl-l-prolyl-l-alanine
CID 5496751
(2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carboxamide
CID 14999614
2-[[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]amino]acetic acid
CID 44383973
2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 71450660
Gly-Pro-Ala
CID 7276371
(S)-N-(2-Hydroxyethyl)pyrrolidine-2-carboxamide
CID 12136434
L-Prolyl-L-alanylglycine
CID 71401898
2-[[1-(2-Aminoacetyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 263470
(2S)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide hydrochloride
CID 154577516
2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}acetic acid
CID 14777719

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide?
The IUPAC name of N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide (CID 59696095) is N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide.
What is the SMILES notation for N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide?
The canonical SMILES for N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide is CO[N+]1(CCO)CCCC1C(=O)NCCO.
What is the InChIKey of N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide?
The InChIKey is FNRJXZUMEZCCQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O4/c1-16-12(6-8-14)5-2-3-9(12)10(15)11-4-7-13/h9,13-14H,2-8H2,1H3/p+1.
What are the key properties of N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide?
N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide has a molecular weight of 233.29 g/mol, XLogP of -1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2-hydroxyethyl)-1-methoxypyrrolidin-1-ium-2-carboxamide is sourced from PubChem (CID 59696095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).