2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate

C9H19NO4 — CID 106109479

IUPAC2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate
SMILESCOC(CN)C(=O)OCCOC(C)C
InChIInChI=1S/C9H19NO4/c1-7(2)13-4-5-14-9(11)8(6-10)12-3/h7-8H,4-6,10H2,1-3H3
InChIKeyWRYAUTROXMEGLB-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.07
Rot. Bonds7

About 2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate

2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate (PubChem CID 106109479) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate
PubChem CID106109479
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate
SMILESCOC(CN)C(=O)OCCOC(C)C
InChIInChI=1S/C9H19NO4/c1-7(2)13-4-5-14-9(11)8(6-10)12-3/h7-8H,4-6,10H2,1-3H3
InChIKeyWRYAUTROXMEGLB-UHFFFAOYSA-N
XLogP-0.07
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropyl 3-amino-2-methoxypropanoate
CID 106109463
2-phenoxyethyl 3-amino-2-methoxypropanoate
CID 114144555
3-phenylpropyl 3-amino-2-methoxypropanoate
CID 114144556
2-propan-2-yloxyethyl N-aminocarbamate
CID 154208256
3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
CID 103223987
2-propan-2-yloxyethyl N,N-dimethylcarbamate
CID 172528660
3-methoxy-1-propan-2-yloxypentan-2-one
CID 116707377
1,4-dioxo-1,4-bis(2-propan-2-yloxyethoxy)butane-2-sulfonic acid
CID 132606274
2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate
CID 123886318
2-ethoxyethyl 2-ethoxybutanoate
CID 88671888
3-amino-2-methoxy-N-(2-methylbutyl)propanamide
CID 106112770
3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668506

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate?
The IUPAC name of 2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate (CID 106109479) is 2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate?
The canonical SMILES for 2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate is COC(CN)C(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate?
The InChIKey is WRYAUTROXMEGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(2)13-4-5-14-9(11)8(6-10)12-3/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate?
2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate has a molecular weight of 205.25 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate is sourced from PubChem (CID 106109479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).