2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide

C12H19N5O2 — CID 67506583

IUPAC2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](NC(=O)CN)CN1
InChIInChI=1S/C12H19N5O2/c13-5-9-2-1-3-17(9)12(19)10-4-8(7-15-10)16-11(18)6-14/h8-10,15H,1-4,6-7,14H2,(H,16,18)/t8-,9-,10-/m0/s1
InChIKeyJOEDFBLGICSVJP-GUBZILKMSA-N
MW265.32 g/mol
LogP-1.69
Rot. Bonds3

About 2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide

2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 67506583) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID67506583
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](NC(=O)CN)CN1
InChIInChI=1S/C12H19N5O2/c13-5-9-2-1-3-17(9)12(19)10-4-8(7-15-10)16-11(18)6-14/h8-10,15H,1-4,6-7,14H2,(H,16,18)/t8-,9-,10-/m0/s1
InChIKeyJOEDFBLGICSVJP-GUBZILKMSA-N
XLogP-1.69
TPSA111.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3S,5S)-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetamide
CID 67506586
(2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 67506593
N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
CID 67506426
(2S)-1-[(2S,4S)-4-[(4-cyanophenyl)methylamino]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;dihydrochloride
CID 67506711
1-[(2S,4S)-4-(pyrimidin-2-ylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 67507087
1-[(2S,4S)-4-(4-nitroanilino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 67506829
(2S)-1-[(2S,4S)-4-anilinopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 67506790
1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 91248515
bis(2,2,2-trifluoroacetic acid);(2S)-1-[(2S,4S)-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 10188478
1-[(2S,4S)-4-[(4-cyanophenyl)methyl-methylamino]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;dihydrochloride
CID 67506377
(2S)-1-[(2S,5S)-5-(hydroxymethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 11652956
2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 70175516

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide (CID 67506583) is 2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide is N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](NC(=O)CN)CN1.
What is the InChIKey of 2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is JOEDFBLGICSVJP-GUBZILKMSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-5-9-2-1-3-17(9)12(19)10-4-8(7-15-10)16-11(18)6-14/h8-10,15H,1-4,6-7,14H2,(H,16,18)/t8-,9-,10-/m0/s1.
What are the key properties of 2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 265.32 g/mol, XLogP of -1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 67506583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).