methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate

C11H17N3O4 — CID 112638932

IUPACmethyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
SMILESCCCOc1ccnc(NC(CO)C(=O)OC)n1
InChIInChI=1S/C11H17N3O4/c1-3-6-18-9-4-5-12-11(14-9)13-8(7-15)10(16)17-2/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13,14)
InChIKeySMXHZILICMMWJS-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.21
Rot. Bonds7

About methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate

methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate (PubChem CID 112638932) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
PubChem CID112638932
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
SMILESCCCOc1ccnc(NC(CO)C(=O)OC)n1
InChIInChI=1S/C11H17N3O4/c1-3-6-18-9-4-5-12-11(14-9)13-8(7-15)10(16)17-2/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13,14)
InChIKeySMXHZILICMMWJS-UHFFFAOYSA-N
XLogP0.21
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115974224
3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide
CID 106097009
2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 104683082
methyl (2R)-2-[(2-chloropyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 129353760
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
N-(1-chloro-4-methylpentan-3-yl)-4-propoxypyrimidin-2-amine
CID 106354270
N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
CID 115975024

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate (CID 112638932) is methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate is CCCOc1ccnc(NC(CO)C(=O)OC)n1.
What is the InChIKey of methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate?
The InChIKey is SMXHZILICMMWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-6-18-9-4-5-12-11(14-9)13-8(7-15)10(16)17-2/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate?
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate has a molecular weight of 255.27 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate is sourced from PubChem (CID 112638932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).