2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid

C10H14N4O2 — CID 83890555

IUPAC2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid
SMILESNC(C(=O)O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C10H14N4O2/c11-8(9(15)16)7-5-12-10(13-6-7)14-3-1-2-4-14/h5-6,8H,1-4,11H2,(H,15,16)
InChIKeyPFTARKMYYSAVPL-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.16
Rot. Bonds3

About 2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid

2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid (PubChem CID 83890555) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid
PubChem CID83890555
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid
SMILESNC(C(=O)O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C10H14N4O2/c11-8(9(15)16)7-5-12-10(13-6-7)14-3-1-2-4-14/h5-6,8H,1-4,11H2,(H,15,16)
InChIKeyPFTARKMYYSAVPL-UHFFFAOYSA-N
XLogP0.16
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Pyrimidin-5-yl)acetic acid
CID 21471675
2-Methyl-2-(pyrimidin-5-yl)propanoic acid
CID 21471617
2-(2-Chloropyrimidin-5-yl)acetic acid
CID 55267811
2-(2-Methoxypyrimidin-5-yl)acetic acid
CID 55268291
2-(Pyrimidin-5-yl)acetic acid hydrochloride
CID 67009943
2-(Pyrimidin-5-yl)propanoic acid
CID 62490683
2-(Pyrimidin-5-yl)propanoic acid hydrochloride
CID 86775535
3-Amino-1-{[2-(ethylamino)pyrimidin-5-YL]methyl}pyrrolidine-3-carboxylic acid
CID 56707605
2-Fluoro-2-(pyrimidin-5-yl)acetic acid
CID 79366430
2-(2-Aminopyrimidin-5-yl)-2,2-difluoroacetic acid
CID 89619261
2-(2-Fluoropyrimidin-5-yl)acetic acid
CID 55268295
2-Amino-3,3,3-trifluoro-2-pyrimidin-5-ylpropanoic acid
CID 64138547

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid (CID 83890555) is 2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid is NC(C(=O)O)c1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid?
The InChIKey is PFTARKMYYSAVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-8(9(15)16)7-5-12-10(13-6-7)14-3-1-2-4-14/h5-6,8H,1-4,11H2,(H,15,16).
What are the key properties of 2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid?
2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid has a molecular weight of 222.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid is sourced from PubChem (CID 83890555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).