methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate

C17H35NO3 — CID 129214386

IUPACmethyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate
SMILESCCCCCCC(C)(CCCCC)N[C@H](CO)C(=O)OC
InChIInChI=1S/C17H35NO3/c1-5-7-9-11-13-17(3,12-10-8-6-2)18-15(14-19)16(20)21-4/h15,18-19H,5-14H2,1-4H3/t15-,17?/m1/s1
InChIKeyACPSKAPHJGWHHL-LDCVWXEPSA-N
MW301.47 g/mol
LogP3.42
Rot. Bonds13

About methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate

methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate (PubChem CID 129214386) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate
PubChem CID129214386
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Namemethyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate
SMILESCCCCCCC(C)(CCCCC)N[C@H](CO)C(=O)OC
InChIInChI=1S/C17H35NO3/c1-5-7-9-11-13-17(3,12-10-8-6-2)18-15(14-19)16(20)21-4/h15,18-19H,5-14H2,1-4H3/t15-,17?/m1/s1
InChIKeyACPSKAPHJGWHHL-LDCVWXEPSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate?
The IUPAC name of methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate (CID 129214386) is methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate.
What is the SMILES notation for methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate?
The canonical SMILES for methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate is CCCCCCC(C)(CCCCC)N[C@H](CO)C(=O)OC.
What is the InChIKey of methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate?
The InChIKey is ACPSKAPHJGWHHL-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H35NO3/c1-5-7-9-11-13-17(3,12-10-8-6-2)18-15(14-19)16(20)21-4/h15,18-19H,5-14H2,1-4H3/t15-,17?/m1/s1.
What are the key properties of methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate?
methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate has a molecular weight of 301.47 g/mol, XLogP of 3.42, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-hydroxy-2-(6-methyldodecan-6-ylamino)propanoate is sourced from PubChem (CID 129214386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).