3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide

C9H17N3O3 — CID 145222768

IUPAC3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide
SMILESO=CNCCC(=O)NOCC1CCCN1
InChIInChI=1S/C9H17N3O3/c13-7-10-5-3-9(14)12-15-6-8-2-1-4-11-8/h7-8,11H,1-6H2,(H,10,13)(H,12,14)
InChIKeyXIQPSJPPHADXMQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.08
Rot. Bonds7

About 3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide

3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide (PubChem CID 145222768) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide.

Molecular Properties

Compound Name3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide
PubChem CID145222768
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide
SMILESO=CNCCC(=O)NOCC1CCCN1
InChIInChI=1S/C9H17N3O3/c13-7-10-5-3-9(14)12-15-6-8-2-1-4-11-8/h7-8,11H,1-6H2,(H,10,13)(H,12,14)
InChIKeyXIQPSJPPHADXMQ-UHFFFAOYSA-N
XLogP-1.08
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide
CID 142306542
N-(pyrrolidin-2-ylmethyl)formamide
CID 72555497
2-formamidoethyl pyrrolidine-2-carboxylate
CID 123750935
[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
CID 139649266
pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
N-carbamoyl-2-pyrrolidin-2-ylacetamide
CID 79195265
pyrrolidin-2-ylmethyl azepane-1-carboxylate
CID 79337608
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
(4-oxobutanoylamino) pyrrolidine-2-carboxylate
CID 172627054
[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
CID 90890613

Frequently Asked Questions

What is the IUPAC name of 3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide?
The IUPAC name of 3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide (CID 145222768) is 3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide.
What is the SMILES notation for 3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide?
The canonical SMILES for 3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide is O=CNCCC(=O)NOCC1CCCN1.
What is the InChIKey of 3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide?
The InChIKey is XIQPSJPPHADXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c13-7-10-5-3-9(14)12-15-6-8-2-1-4-11-8/h7-8,11H,1-6H2,(H,10,13)(H,12,14).
What are the key properties of 3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide?
3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide has a molecular weight of 215.25 g/mol, XLogP of -1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide is sourced from PubChem (CID 145222768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).