(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid

C16H20N4O4 — CID 69091689

IUPAC(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
SMILESN[C@@H](Cc1ccccn1)C(=O)O.N[C@@H](Cc1cccnc1)C(=O)O
InChIInChI=1S/2C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6;9-7(8(11)12)5-6-3-1-2-4-10-6/h1-3,5,7H,4,9H2,(H,11,12);1-4,7H,5,9H2,(H,11,12)/t2*7-/m00/s1
InChIKeyRMMYCOSTCHVLAQ-VGMFFHCQSA-N
MW332.36 g/mol
LogP0.07
Rot. Bonds6

About (2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid

(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid (PubChem CID 69091689) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
PubChem CID69091689
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
SMILESN[C@@H](Cc1ccccn1)C(=O)O.N[C@@H](Cc1cccnc1)C(=O)O
InChIInChI=1S/2C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6;9-7(8(11)12)5-6-3-1-2-4-10-6/h1-3,5,7H,4,9H2,(H,11,12);1-4,7H,5,9H2,(H,11,12)/t2*7-/m00/s1
InChIKeyRMMYCOSTCHVLAQ-VGMFFHCQSA-N
XLogP0.07
TPSA152.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
CID 171702919
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
CID 67254452
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid (CID 69091689) is (2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid is N[C@@H](Cc1ccccn1)C(=O)O.N[C@@H](Cc1cccnc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid?
The InChIKey is RMMYCOSTCHVLAQ-VGMFFHCQSA-N. The full InChI is InChI=1S/2C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6;9-7(8(11)12)5-6-3-1-2-4-10-6/h1-3,5,7H,4,9H2,(H,11,12);1-4,7H,5,9H2,(H,11,12)/t2*7-/m00/s1.
What are the key properties of (2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid?
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid has a molecular weight of 332.36 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 69091689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).