methyl 2-chloro-3-(nonylamino)propanoate

C13H26ClNO2 — CID 103491742

IUPACmethyl 2-chloro-3-(nonylamino)propanoate
SMILESCCCCCCCCCNCC(Cl)C(=O)OC
InChIInChI=1S/C13H26ClNO2/c1-3-4-5-6-7-8-9-10-15-11-12(14)13(16)17-2/h12,15H,3-11H2,1-2H3
InChIKeyQFSVCQXXVDLGSN-UHFFFAOYSA-N
MW263.81 g/mol
LogP3.11
Rot. Bonds11

About methyl 2-chloro-3-(nonylamino)propanoate

methyl 2-chloro-3-(nonylamino)propanoate (PubChem CID 103491742) has the molecular formula C13H26ClNO2 and a molecular weight of 263.81 g/mol. Its IUPAC name is methyl 2-chloro-3-(nonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-(nonylamino)propanoate
PubChem CID103491742
Molecular FormulaC13H26ClNO2
Molecular Weight263.81 g/mol
Exact Mass263.17
IUPAC Namemethyl 2-chloro-3-(nonylamino)propanoate
SMILESCCCCCCCCCNCC(Cl)C(=O)OC
InChIInChI=1S/C13H26ClNO2/c1-3-4-5-6-7-8-9-10-15-11-12(14)13(16)17-2/h12,15H,3-11H2,1-2H3
InChIKeyQFSVCQXXVDLGSN-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-3-(octylamino)propanoate
CID 103261436
methyl 3-(dodecylamino)-2-iodopropanoate
CID 103492046
methyl 2-chloro-3-(decanoylamino)propanoate
CID 103492807
[2-(heptylamino)-1-trihydroxyphosphaniumylethyl]-trihydroxyphosphanium
CID 78225533
N-(2,2-dimethoxyethyl)dodecan-1-amine
CID 10308222
methyl 2-(octylamino)propanoate
CID 60780709
2-methyl-3-(pentylamino)propanamide
CID 43312009
methyl 2-(tetradecylamino)propanoate
CID 174995791
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
carbonic acid;N-hexylhexan-1-amine
CID 174995198
3-hydroxy-4-(octadecylamino)butanoic acid
CID 87708231

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-(nonylamino)propanoate?
The IUPAC name of methyl 2-chloro-3-(nonylamino)propanoate (CID 103491742) is methyl 2-chloro-3-(nonylamino)propanoate.
What is the SMILES notation for methyl 2-chloro-3-(nonylamino)propanoate?
The canonical SMILES for methyl 2-chloro-3-(nonylamino)propanoate is CCCCCCCCCNCC(Cl)C(=O)OC.
What is the InChIKey of methyl 2-chloro-3-(nonylamino)propanoate?
The InChIKey is QFSVCQXXVDLGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO2/c1-3-4-5-6-7-8-9-10-15-11-12(14)13(16)17-2/h12,15H,3-11H2,1-2H3.
What are the key properties of methyl 2-chloro-3-(nonylamino)propanoate?
methyl 2-chloro-3-(nonylamino)propanoate has a molecular weight of 263.81 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-(nonylamino)propanoate is sourced from PubChem (CID 103491742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).