methyl (2R)-2-(diethylamino)butanoate

C9H19NO2 — CID 30030921

IUPACmethyl (2R)-2-(diethylamino)butanoate
SMILESCC[C@H](C(=O)OC)N(CC)CC
InChIInChI=1S/C9H19NO2/c1-5-8(9(11)12-4)10(6-2)7-3/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyFYRPYDMKSCZVCI-MRVPVSSYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds5

About methyl (2R)-2-(diethylamino)butanoate

methyl (2R)-2-(diethylamino)butanoate (PubChem CID 30030921) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl (2R)-2-(diethylamino)butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(diethylamino)butanoate
PubChem CID30030921
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl (2R)-2-(diethylamino)butanoate
SMILESCC[C@H](C(=O)OC)N(CC)CC
InChIInChI=1S/C9H19NO2/c1-5-8(9(11)12-4)10(6-2)7-3/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyFYRPYDMKSCZVCI-MRVPVSSYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylamino)butanoic acid
CID 23290221
Methyl 1-butylazetidine-2-carboxylate
CID 4340163
Methyl 2-[acetyl(methyl)amino]-3-methylbutanoate
CID 11019600
Methyl 2-piperidinobutanoate
CID 11435364
Methyl 1,3-dimethylaziridine-2-carboxylate
CID 358993
1-Aziridineacetic acid, alpha-ethyl-, methyl ester
CID 107096
Methyl 1-propan-2-ylazetidine-2-carboxylate
CID 317360
N,N-diethyl-d,l-aspartic acid dimethyl ester
CID 18801788
Methyl 2-morpholinobutanoate
CID 11286908
N,N-dibutylglycine methyl ester
CID 13879346
methyl (2S)-2-(dimethylamino)-3-methylbutanoate
CID 14498343
Methyl 2-(dimethylamino)propanoate
CID 15594675

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(diethylamino)butanoate?
The IUPAC name of methyl (2R)-2-(diethylamino)butanoate (CID 30030921) is methyl (2R)-2-(diethylamino)butanoate.
What is the SMILES notation for methyl (2R)-2-(diethylamino)butanoate?
The canonical SMILES for methyl (2R)-2-(diethylamino)butanoate is CC[C@H](C(=O)OC)N(CC)CC.
What is the InChIKey of methyl (2R)-2-(diethylamino)butanoate?
The InChIKey is FYRPYDMKSCZVCI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(9(11)12-4)10(6-2)7-3/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-(diethylamino)butanoate?
methyl (2R)-2-(diethylamino)butanoate has a molecular weight of 173.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(diethylamino)butanoate is sourced from PubChem (CID 30030921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).