(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid

C9H13N3O2 — CID 118492943

IUPAC(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
SMILESC[C@H](Nc1ccccn1)[C@@H](N)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-6(8(10)9(13)14)12-7-4-2-3-5-11-7/h2-6,8H,10H2,1H3,(H,11,12)(H,13,14)/t6-,8+/m0/s1
InChIKeyHMJMCSZOVROXSO-POYBYMJQSA-N
MW195.22 g/mol
LogP0.29
Rot. Bonds4

About (2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid

(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid (PubChem CID 118492943) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
PubChem CID118492943
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
SMILESC[C@H](Nc1ccccn1)[C@@H](N)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-6(8(10)9(13)14)12-7-4-2-3-5-11-7/h2-6,8H,10H2,1H3,(H,11,12)(H,13,14)/t6-,8+/m0/s1
InChIKeyHMJMCSZOVROXSO-POYBYMJQSA-N
XLogP0.29
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749
(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
CID 67254452
1-(pyridin-2-ylamino)ethanol
CID 20521375
N-methyl-2-(pyridin-2-ylamino)propanamide
CID 61464552
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
1-phenyl-3-(pyridin-2-ylamino)butan-2-ol
CID 133400189
2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid
CID 174859044
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 115180971
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
N-methyl-3-(pyridin-2-ylamino)butanamide
CID 126986948
2-(carboxymethoxy)-2-(pyridin-2-ylamino)acetic acid
CID 69470783

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid?
The IUPAC name of (2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid (CID 118492943) is (2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid.
What is the SMILES notation for (2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid?
The canonical SMILES for (2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid is C[C@H](Nc1ccccn1)[C@@H](N)C(=O)O.
What is the InChIKey of (2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid?
The InChIKey is HMJMCSZOVROXSO-POYBYMJQSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(8(10)9(13)14)12-7-4-2-3-5-11-7/h2-6,8H,10H2,1H3,(H,11,12)(H,13,14)/t6-,8+/m0/s1.
What are the key properties of (2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid?
(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid is sourced from PubChem (CID 118492943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).