ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate

C10H21NO3 — CID 61247456

IUPACethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate
SMILESCCOC(=O)CNC(CO)CC(C)C
InChIInChI=1S/C10H21NO3/c1-4-14-10(13)6-11-9(7-12)5-8(2)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyZGXIXJZGJPZAQK-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.55
Rot. Bonds7

About ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate

ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate (PubChem CID 61247456) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate
PubChem CID61247456
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate
SMILESCCOC(=O)CNC(CO)CC(C)C
InChIInChI=1S/C10H21NO3/c1-4-14-10(13)6-11-9(7-12)5-8(2)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyZGXIXJZGJPZAQK-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
CID 61246589
ethyl 2-(1-chloroethylamino)acetate
CID 123739956
ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanoate
CID 83041514
2-(2-ethoxyethylamino)-4-methylpentan-1-ol
CID 61246725
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54961686
4-methyl-2-(2-methylprop-2-enylamino)pentan-1-ol
CID 62331701
ethyl 2-(6-hydroxyhexan-2-ylamino)acetate
CID 22677733
ethyl (3S)-3,5-dimethylhexanoate
CID 12830074
ethyl 4,6-dimethyl-3-oxoheptanoate
CID 174479071
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811101
ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate
CID 82938567
2-(butylamino)-4-methylpentan-1-ol
CID 61246841

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate (CID 61247456) is ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate is CCOC(=O)CNC(CO)CC(C)C.
What is the InChIKey of ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate?
The InChIKey is ZGXIXJZGJPZAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-14-10(13)6-11-9(7-12)5-8(2)3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate?
ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate has a molecular weight of 203.28 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate is sourced from PubChem (CID 61247456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).