(2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid

C7H9N3O4 — CID 57367788

IUPAC(2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESN[C@@H](Cc1nc(O)cc(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H9N3O4/c8-3(7(13)14)1-4-9-5(11)2-6(12)10-4/h2-3H,1,8H2,(H,13,14)(H2,9,10,11,12)/t3-/m0/s1
InChIKeyBQMGZXKHBSXLLE-VKHMYHEASA-N
MW199.17 g/mol
LogP-1.57
Rot. Bonds3

About (2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid

(2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid (PubChem CID 57367788) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
PubChem CID57367788
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name(2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESN[C@@H](Cc1nc(O)cc(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H9N3O4/c8-3(7(13)14)1-4-9-5(11)2-6(12)10-4/h2-3H,1,8H2,(H,13,14)(H2,9,10,11,12)/t3-/m0/s1
InChIKeyBQMGZXKHBSXLLE-VKHMYHEASA-N
XLogP-1.57
TPSA129.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid
CID 130609289
4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553741
4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one
CID 127044148
4-hydroxy-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one
CID 20587221
2-[2-(4-aminophenoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 82479776
(2S)-2-amino-3-(5,6-dichloro-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propanoic acid
CID 57295999
2-amino-4-(6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 54353358
4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 63613771
2-(2-methylbutyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 165463868
(3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97275845
(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97280495
(2S)-2-amino-3-(2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid
CID 57266974

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid (CID 57367788) is (2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid is N[C@@H](Cc1nc(O)cc(=O)[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The InChIKey is BQMGZXKHBSXLLE-VKHMYHEASA-N. The full InChI is InChI=1S/C7H9N3O4/c8-3(7(13)14)1-4-9-5(11)2-6(12)10-4/h2-3H,1,8H2,(H,13,14)(H2,9,10,11,12)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
(2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 57367788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).