(3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid

C10H13N3O3 — CID 18396978

IUPAC(3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid
SMILESN[C@@H](CC(=O)O)c1cnc2c(c1)NCCO2
InChIInChI=1S/C10H13N3O3/c11-7(4-9(14)15)6-3-8-10(13-5-6)16-2-1-12-8/h3,5,7,12H,1-2,4,11H2,(H,14,15)/t7-/m0/s1
InChIKeyKVTFHXUMWNBAJF-ZETCQYMHSA-N
MW223.23 g/mol
LogP0.36
Rot. Bonds3

About (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid

(3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid (PubChem CID 18396978) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid
PubChem CID18396978
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid
SMILESN[C@@H](CC(=O)O)c1cnc2c(c1)NCCO2
InChIInChI=1S/C10H13N3O3/c11-7(4-9(14)15)6-3-8-10(13-5-6)16-2-1-12-8/h3,5,7,12H,1-2,4,11H2,(H,14,15)/t7-/m0/s1
InChIKeyKVTFHXUMWNBAJF-ZETCQYMHSA-N
XLogP0.36
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 126971931
3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid
CID 55272910
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
3-amino-3-(5-chloro-3-pyridinyl)propanoic acid
CID 84669672
3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid
CID 84779004
3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid
CID 139579840
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
CID 156612944
(3S)-3-amino-3-(3,5-dihydroxyphenyl)propanoic acid
CID 55273061
3-methyl-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-4-oxobutanoic acid
CID 70059674
(3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride
CID 155289986
(3S)-3-amino-3-(7-bromo-1,3-benzodioxol-5-yl)propanoic acid
CID 61149784
3-amino-3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propanoic acid
CID 117470290

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid (CID 18396978) is (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid is N[C@@H](CC(=O)O)c1cnc2c(c1)NCCO2.
What is the InChIKey of (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid?
The InChIKey is KVTFHXUMWNBAJF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-7(4-9(14)15)6-3-8-10(13-5-6)16-2-1-12-8/h3,5,7,12H,1-2,4,11H2,(H,14,15)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid?
(3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid is sourced from PubChem (CID 18396978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).