(2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid

C13H14N4O2 — CID 142764632

IUPAC(2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid
SMILESN[C@H](CN(c1ccccc1)c1ncccn1)C(=O)O
InChIInChI=1S/C13H14N4O2/c14-11(12(18)19)9-17(10-5-2-1-3-6-10)13-15-7-4-8-16-13/h1-8,11H,9,14H2,(H,18,19)/t11-/m1/s1
InChIKeyMXUCQYOIWHDFOP-LLVKDONJSA-N
MW258.28 g/mol
LogP1.03
Rot. Bonds5

About (2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid

(2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid (PubChem CID 142764632) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid
PubChem CID142764632
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name(2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid
SMILESN[C@H](CN(c1ccccc1)c1ncccn1)C(=O)O
InChIInChI=1S/C13H14N4O2/c14-11(12(18)19)9-17(10-5-2-1-3-6-10)13-15-7-4-8-16-13/h1-8,11H,9,14H2,(H,18,19)/t11-/m1/s1
InChIKeyMXUCQYOIWHDFOP-LLVKDONJSA-N
XLogP1.03
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(N-pyrimidin-2-ylanilino)propanoic acid
CID 67504972
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 115180971
2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
CID 170716889
N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 141149663
(2S)-2-amino-3-[carboxy(pyrimidin-4-yl)amino]propanoic acid
CID 174670374
(2S)-2-amino-3-(3-chloro-N-methylanilino)propanoic acid
CID 172529649
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
N-[(2S)-1-amino-1-oxo-3-(N-pyrimidin-2-ylanilino)propan-2-yl]-1H-indole-5-carboxamide
CID 141369297
(2R)-2-amino-3-[methyl(diphenyl)silyl]propanoic acid
CID 10379208
(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid
CID 161352195
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid (CID 142764632) is (2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid is N[C@H](CN(c1ccccc1)c1ncccn1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid?
The InChIKey is MXUCQYOIWHDFOP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-11(12(18)19)9-17(10-5-2-1-3-6-10)13-15-7-4-8-16-13/h1-8,11H,9,14H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid?
(2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(N-pyrimidin-2-ylanilino)propanoic acid is sourced from PubChem (CID 142764632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).