(2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid

C13H21N5O3 — CID 122049941

IUPAC(2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
SMILESCOc1nc(N[C@H](C)C(=O)O)nc(N2CCCCCC2)n1
InChIInChI=1S/C13H21N5O3/c1-9(10(19)20)14-11-15-12(17-13(16-11)21-2)18-7-5-3-4-6-8-18/h9H,3-8H2,1-2H3,(H,19,20)(H,14,15,16,17)/t9-/m1/s1
InChIKeyAAZUBUZSYMSKEW-SECBINFHSA-N
MW295.34 g/mol
LogP1.15
Rot. Bonds5

About (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid

(2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid (PubChem CID 122049941) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
PubChem CID122049941
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name(2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
SMILESCOc1nc(N[C@H](C)C(=O)O)nc(N2CCCCCC2)n1
InChIInChI=1S/C13H21N5O3/c1-9(10(19)20)14-11-15-12(17-13(16-11)21-2)18-7-5-3-4-6-8-18/h9H,3-8H2,1-2H3,(H,19,20)(H,14,15,16,17)/t9-/m1/s1
InChIKeyAAZUBUZSYMSKEW-SECBINFHSA-N
XLogP1.15
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid with MolForge

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Related Compounds

3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
1-[4-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone
CID 58865645
4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
CID 133344596
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80804171
4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
CID 729324
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
4-(azepan-1-yl)-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 133477460
methyl 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanoate
CID 80791113
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122058843
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80803085
(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol
CID 133486119

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid (CID 122049941) is (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid is COc1nc(N[C@H](C)C(=O)O)nc(N2CCCCCC2)n1.
What is the InChIKey of (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid?
The InChIKey is AAZUBUZSYMSKEW-SECBINFHSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(10(19)20)14-11-15-12(17-13(16-11)21-2)18-7-5-3-4-6-8-18/h9H,3-8H2,1-2H3,(H,19,20)(H,14,15,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid?
(2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid is sourced from PubChem (CID 122049941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).