ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate

C10H21NO3 — CID 87354947

IUPACethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate
SMILESCCOC(=O)CCOC[C@H](N)C(C)C
InChIInChI=1S/C10H21NO3/c1-4-14-10(12)5-6-13-7-9(11)8(2)3/h8-9H,4-7,11H2,1-3H3/t9-/m0/s1
InChIKeyPPELKSIMHCQZKS-VIFPVBQESA-N
MW203.28 g/mol
LogP0.94
Rot. Bonds7

About ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate

ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate (PubChem CID 87354947) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate
PubChem CID87354947
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate
SMILESCCOC(=O)CCOC[C@H](N)C(C)C
InChIInChI=1S/C10H21NO3/c1-4-14-10(12)5-6-13-7-9(11)8(2)3/h8-9H,4-7,11H2,1-3H3/t9-/m0/s1
InChIKeyPPELKSIMHCQZKS-VIFPVBQESA-N
XLogP0.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-[2-[(2R)-2-amino-3-methylbutoxy]ethoxy]ethoxy]-3-methylbutan-2-amine
CID 101253534
(3-ethoxy-3-oxopropyl) 2-methylpropanoate
CID 59093040
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
ethyl 3-[3-(3-butan-2-yloxy-3-oxopropoxy)propoxy]propanoate
CID 171558193
1-O-ethyl 4-O-(2-ethylbutyl) butanedioate
CID 91702414
ethyl 5-amino-4-oxohexanoate
CID 76602913
1-decoxypropan-2-yl acetate;ethyl 3-ethoxypropanoate
CID 158191004
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
ethyl 3-carbamoyloxypropanoate
CID 175485814
4-O-(2,4-dimethylpentan-3-yl) 1-O-ethyl butanedioate
CID 91713409

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate?
The IUPAC name of ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate (CID 87354947) is ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate.
What is the SMILES notation for ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate?
The canonical SMILES for ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate is CCOC(=O)CCOC[C@H](N)C(C)C.
What is the InChIKey of ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate?
The InChIKey is PPELKSIMHCQZKS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-14-10(12)5-6-13-7-9(11)8(2)3/h8-9H,4-7,11H2,1-3H3/t9-/m0/s1.
What are the key properties of ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate?
ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate has a molecular weight of 203.28 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2R)-2-amino-3-methylbutoxy]propanoate is sourced from PubChem (CID 87354947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).