methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate

C12H16N4O3 — CID 43623310

IUPACmethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C12H16N4O3/c1-19-10(17)8-15-11(18)9-4-2-7-16(9)12-13-5-3-6-14-12/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,18)
InChIKeyKSOSTZMJOWTUEB-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.27
Rot. Bonds4

About methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate

methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate (PubChem CID 43623310) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate
PubChem CID43623310
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C12H16N4O3/c1-19-10(17)8-15-11(18)9-4-2-7-16(9)12-13-5-3-6-14-12/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,18)
InChIKeyKSOSTZMJOWTUEB-UHFFFAOYSA-N
XLogP-0.27
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{2-[2-(Pyrimidin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 11747757
cis-azetidin-1-yl((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565584
cis-(3-fluoroazetidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565585
cis-((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)(pyrrolidin-1-yl)methanone
CID 44565889
cis-((R)-3-fluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565890
cis-((S)-3-fluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565891
[(1-Pyrimidin-2-yl-piperidine-3-carbonyl)-amino]-acetic acid ethyl ester
CID 644802
(3S)-3-amino-6-(diaminomethylideneamino)-N-methyl-N-[6-oxo-2-(pyrimidin-2-ylamino)-4,5-dihydro-1H-pyrimidin-5-yl]hexanamide;hydrobromide
CID 45264709
L-Proline, 4-(4-(2-pyrimidinyl)-1-piperazinyl)-, (4S)-
CID 118753184
(2S)-2-amino-5-(diaminomethylideneamino)-N-methyl-N-[3-[methyl(pyrimidin-2-yl)amino]propyl]pentanamide
CID 45102734
Ethyl 2-[(4-pyrimidin-2-ylpiperazinyl)carbonylamino]acetate
CID 17174442
(2S)-2-amino-5-(diaminomethylideneamino)-N-[3-[methyl(pyrimidin-2-yl)amino]propyl]pentanamide
CID 46879796

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate (CID 43623310) is methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate is COC(=O)CNC(=O)C1CCCN1c1ncccn1.
What is the InChIKey of methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate?
The InChIKey is KSOSTZMJOWTUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-19-10(17)8-15-11(18)9-4-2-7-16(9)12-13-5-3-6-14-12/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,18).
What are the key properties of methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate?
methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate has a molecular weight of 264.28 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate is sourced from PubChem (CID 43623310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).