methyl 2-(2-methylpentylamino)acetate

C9H19NO2 — CID 43200780

IUPACmethyl 2-(2-methylpentylamino)acetate
SMILESCCCC(C)CNCC(=O)OC
InChIInChI=1S/C9H19NO2/c1-4-5-8(2)6-10-7-9(11)12-3/h8,10H,4-7H2,1-3H3
InChIKeySIUHGHFVHFRSKB-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.19
Rot. Bonds6

About methyl 2-(2-methylpentylamino)acetate

methyl 2-(2-methylpentylamino)acetate (PubChem CID 43200780) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 2-(2-methylpentylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylpentylamino)acetate
PubChem CID43200780
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 2-(2-methylpentylamino)acetate
SMILESCCCC(C)CNCC(=O)OC
InChIInChI=1S/C9H19NO2/c1-4-5-8(2)6-10-7-9(11)12-3/h8,10H,4-7H2,1-3H3
InChIKeySIUHGHFVHFRSKB-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methylpropylamino)acetate
CID 22175789
methyl 3-[2-(2-methylpentylamino)ethylsulfanyl]propanoate
CID 115907421
methyl 2-(2-aminopropylamino)acetate
CID 54010376
methyl 2-(2-iodopropylamino)acetate
CID 163571817
methyl 2-(2-heptylundecylamino)acetate
CID 158259283
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
ethyl N-[2-(2-methylpentylamino)ethyl]carbamate
CID 115906876
methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride
CID 90032221
methyl 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]acetate
CID 60904481
3-(2-methylpentylamino)-N-propan-2-ylpropanamide
CID 115904706
N,N-dimethyl-3-(2-methylpentylamino)propanamide
CID 60926846
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpentylamino)acetate?
The IUPAC name of methyl 2-(2-methylpentylamino)acetate (CID 43200780) is methyl 2-(2-methylpentylamino)acetate.
What is the SMILES notation for methyl 2-(2-methylpentylamino)acetate?
The canonical SMILES for methyl 2-(2-methylpentylamino)acetate is CCCC(C)CNCC(=O)OC.
What is the InChIKey of methyl 2-(2-methylpentylamino)acetate?
The InChIKey is SIUHGHFVHFRSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-8(2)6-10-7-9(11)12-3/h8,10H,4-7H2,1-3H3.
What are the key properties of methyl 2-(2-methylpentylamino)acetate?
methyl 2-(2-methylpentylamino)acetate has a molecular weight of 173.26 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpentylamino)acetate is sourced from PubChem (CID 43200780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).