tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate

C13H24N2O4 — CID 112756358

IUPACtert-butyl 2-[acetyl(morpholin-2-ylmethyl)amino]acetate
SMILESCC(=O)N(CC1CNCCO1)CC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-10(16)15(8-11-7-14-5-6-18-11)9-12(17)19-13(2,3)4/h11,14H,5-9H2,1-4H3
InChIKeyWLRWDKYHGFEGTN-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.10
Rot. Bonds6

About tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate

tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate (PubChem CID 112756358) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 2-[acetyl(morpholin-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate
PubChem CID112756358
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 2-[acetyl(morpholin-2-ylmethyl)amino]acetate
SMILESCC(=O)N(CC1CNCCO1)CC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-10(16)15(8-11-7-14-5-6-18-11)9-12(17)19-13(2,3)4/h11,14H,5-9H2,1-4H3
InChIKeyWLRWDKYHGFEGTN-UHFFFAOYSA-N
XLogP-0.10
TPSA67.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity325

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl N-(morpholin-2-ylmethyl)carbamate
CID 19081107
[4-(Boc-amino)-piperidin-1-yl]-acetic acid ethyl ester
CID 23565283
tert-Butyl (2-morpholino-2-oxoethyl)carbamate
CID 10538259
tert-butyl N-methyl-N-[(morpholin-2-yl)methyl]carbamate
CID 19691535
(S)-2-(N-Boc-aminomethyl)morpholine
CID 42556133
(R)-2-N-Boc-aminomethylmorpholine
CID 42556135
4-Morpholinecarboxylic acid, 6-(aminomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (6S)-
CID 71742818
Tert-butyl 6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 71742819
tert-butyl (6R)-6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 71742820
Tert-butyl 2-(aminomethyl)-6-methylmorpholine-4-carboxylate
CID 102938378
Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate
CID 366851

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate?
The IUPAC name of tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate (CID 112756358) is tert-butyl 2-[acetyl(morpholin-2-ylmethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate?
The canonical SMILES for tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate is CC(=O)N(CC1CNCCO1)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate?
The InChIKey is WLRWDKYHGFEGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(16)15(8-11-7-14-5-6-18-11)9-12(17)19-13(2,3)4/h11,14H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate?
tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate has a molecular weight of 272.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate is sourced from PubChem (CID 112756358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).