(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid

C7H10N4O2 — CID 57010106

IUPAC(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1ccnc(N)n1
InChIInChI=1S/C7H10N4O2/c1-7(9,5(12)13)4-2-3-10-6(8)11-4/h2-3H,9H2,1H3,(H,12,13)(H2,8,10,11)/t7-/m1/s1
InChIKeyRQNGINTWLVEQIM-SSDOTTSWSA-N
MW182.18 g/mol
LogP-0.68
Rot. Bonds2

About (2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid

(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid (PubChem CID 57010106) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid
PubChem CID57010106
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1ccnc(N)n1
InChIInChI=1S/C7H10N4O2/c1-7(9,5(12)13)4-2-3-10-6(8)11-4/h2-3H,9H2,1H3,(H,12,13)(H2,8,10,11)/t7-/m1/s1
InChIKeyRQNGINTWLVEQIM-SSDOTTSWSA-N
XLogP-0.68
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(2-chloropyrimidin-4-yl)acetate
CID 83814915
Sodium 2-methyl-2-(pyrimidin-4-yl)propanoate
CID 137704115
3,3-Dimethyl-2-(pyrimidin-4-yl)butanoic acid
CID 155822370
Lithium(1+) 2-(pyrimidin-4-yl)propanoate
CID 165941279
(Pyrimidin-4-yl)acetic acid
CID 21486925
2-(Pyrimidin-4-yl)propanoic acid
CID 82417173
2-(5-Fluoropyrimidin-4-yl)propanoic acid
CID 67382628
(2R)-2-amino-2-(2-fluoropyrimidin-4-yl)propanamide
CID 68982070
2-Methyl-2-(pyrimidin-4-yl)propanoic acid
CID 82414356
2,2-Difluoro-2-(pyrimidin-4-yl)acetic acid
CID 84654802
2-(2-Aminopyrimidin-4-yl)-2,2-difluoroacetic acid
CID 118647030
(2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid
CID 141184493

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid (CID 57010106) is (2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid is C[C@](N)(C(=O)O)c1ccnc(N)n1.
What is the InChIKey of (2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid?
The InChIKey is RQNGINTWLVEQIM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-7(9,5(12)13)4-2-3-10-6(8)11-4/h2-3H,9H2,1H3,(H,12,13)(H2,8,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid?
(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 57010106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).