N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide

C13H22N4O2 — CID 122415357

IUPACN-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(C(=O)CN2CCCC2)CC1N
InChIInChI=1S/C13H22N4O2/c1-2-12(18)15-11-8-17(7-10(11)14)13(19)9-16-5-3-4-6-16/h2,10-11H,1,3-9,14H2,(H,15,18)
InChIKeyXTWIFFQCRTXHLC-UHFFFAOYSA-N
MW266.34 g/mol
LogP-1.08
Rot. Bonds4

About N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide

N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide (PubChem CID 122415357) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide
PubChem CID122415357
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(C(=O)CN2CCCC2)CC1N
InChIInChI=1S/C13H22N4O2/c1-2-12(18)15-11-8-17(7-10(11)14)13(19)9-16-5-3-4-6-16/h2,10-11H,1,3-9,14H2,(H,15,18)
InChIKeyXTWIFFQCRTXHLC-UHFFFAOYSA-N
XLogP-1.08
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide
CID 118597405
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(azocan-1-yl)ethanone
CID 122557295
1-(3-amino-4-phenylpyrrolidin-1-yl)-2-(azocan-1-yl)ethanone
CID 156604119
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]prop-2-enamide
CID 43700635
N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide
CID 118888329
2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone
CID 177010544
N-[[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 154860614
2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 119876027
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide (CID 122415357) is N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)NC1CN(C(=O)CN2CCCC2)CC1N.
What is the InChIKey of N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is XTWIFFQCRTXHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-12(18)15-11-8-17(7-10(11)14)13(19)9-16-5-3-4-6-16/h2,10-11H,1,3-9,14H2,(H,15,18).
What are the key properties of N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide?
N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 266.34 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 122415357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).