methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate

C10H16N2O2S — CID 124604358

IUPACmethyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate
SMILESCC[C@@H](NCCc1cscn1)C(=O)OC
InChIInChI=1S/C10H16N2O2S/c1-3-9(10(13)14-2)11-5-4-8-6-15-7-12-8/h6-7,9,11H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyMCHUBKVHBSCONK-SECBINFHSA-N
MW228.32 g/mol
LogP1.23
Rot. Bonds6

About methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate

methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate (PubChem CID 124604358) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate
PubChem CID124604358
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate
SMILESCC[C@@H](NCCc1cscn1)C(=O)OC
InChIInChI=1S/C10H16N2O2S/c1-3-9(10(13)14-2)11-5-4-8-6-15-7-12-8/h6-7,9,11H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyMCHUBKVHBSCONK-SECBINFHSA-N
XLogP1.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide
CID 115731929
3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 106112900
2-carbamothioyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63826075
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoate;hydrochloride
CID 156702107
tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate
CID 110422808
1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine
CID 115731950
2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 115432547
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 63826251
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 79281124
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate?
The IUPAC name of methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate (CID 124604358) is methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate.
What is the SMILES notation for methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate?
The canonical SMILES for methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate is CC[C@@H](NCCc1cscn1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate?
The InChIKey is MCHUBKVHBSCONK-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-9(10(13)14-2)11-5-4-8-6-15-7-12-8/h6-7,9,11H,3-5H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate?
methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate has a molecular weight of 228.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate is sourced from PubChem (CID 124604358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).