(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid

C16H20N4O4 — CID 67254452

IUPAC(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
SMILESC[C@H](Nc1ccccn1)C(=O)O.N[C@H](Cc1ccccn1)C(=O)O
InChIInChI=1S/2C8H10N2O2/c1-6(8(11)12)10-7-4-2-3-5-9-7;9-7(8(11)12)5-6-3-1-2-4-10-6/h2-6H,1H3,(H,9,10)(H,11,12);1-4,7H,5,9H2,(H,11,12)/t6-;7-/m01/s1
InChIKeyLBPYFWQDFRKSFT-CYVRTLFJSA-N
MW332.36 g/mol
LogP1.00
Rot. Bonds6

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

(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid (PubChem CID 67254452) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
PubChem CID67254452
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
SMILESC[C@H](Nc1ccccn1)C(=O)O.N[C@H](Cc1ccccn1)C(=O)O
InChIInChI=1S/2C8H10N2O2/c1-6(8(11)12)10-7-4-2-3-5-9-7;9-7(8(11)12)5-6-3-1-2-4-10-6/h2-6H,1H3,(H,9,10)(H,11,12);1-4,7H,5,9H2,(H,11,12)/t6-;7-/m01/s1
InChIKeyLBPYFWQDFRKSFT-CYVRTLFJSA-N
XLogP1.00
TPSA138.43 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 ≤ 51.00
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
2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
CID 118492943
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
CID 69091689
2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid
CID 174859044
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 115180971
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
N-methyl-2-(pyridin-2-ylamino)propanamide
CID 61464552

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid?
The IUPAC name of (2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid (CID 67254452) is (2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid is C[C@H](Nc1ccccn1)C(=O)O.N[C@H](Cc1ccccn1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid?
The InChIKey is LBPYFWQDFRKSFT-CYVRTLFJSA-N. The full InChI is InChI=1S/2C8H10N2O2/c1-6(8(11)12)10-7-4-2-3-5-9-7;9-7(8(11)12)5-6-3-1-2-4-10-6/h2-6H,1H3,(H,9,10)(H,11,12);1-4,7H,5,9H2,(H,11,12)/t6-;7-/m01/s1.
What are the key properties of (2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid?
(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid has a molecular weight of 332.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid is sourced from PubChem (CID 67254452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).