tert-butyl 2-(2-hydroxypropanoylamino)acetate

C9H17NO4 — CID 169085959

IUPACtert-butyl 2-(2-hydroxypropanoylamino)acetate
SMILESCC(O)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-6(11)8(13)10-5-7(12)14-9(2,3)4/h6,11H,5H2,1-4H3,(H,10,13)
InChIKeyZEVBAWKVMNLRRP-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.17
Rot. Bonds3

About tert-butyl 2-(2-hydroxypropanoylamino)acetate

tert-butyl 2-(2-hydroxypropanoylamino)acetate (PubChem CID 169085959) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxypropanoylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxypropanoylamino)acetate
PubChem CID169085959
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nametert-butyl 2-(2-hydroxypropanoylamino)acetate
SMILESCC(O)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-6(11)8(13)10-5-7(12)14-9(2,3)4/h6,11H,5H2,1-4H3,(H,10,13)
InChIKeyZEVBAWKVMNLRRP-UHFFFAOYSA-N
XLogP-0.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2S)-2-hydroxypropanoyl]amino]acetate
CID 11041006
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl 2-[(2-hydroxy-3-methylhexanoyl)amino]acetate
CID 20810601
tert-butyl 2-[(2-acetamido-3-methylbutanoyl)amino]acetate
CID 142198552
tert-butyl 2-[[(2S,3S)-2-acetylsulfanyl-3-methylpentanoyl]amino]acetate
CID 10804409
(2R)-2-hydroxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 131159624
tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate
CID 165166781
tert-butyl 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetate
CID 91979596
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
bis(tert-butyl 3-oxobutanoate);bis(propan-2-ol);zirconium
CID 87234032

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxypropanoylamino)acetate?
The IUPAC name of tert-butyl 2-(2-hydroxypropanoylamino)acetate (CID 169085959) is tert-butyl 2-(2-hydroxypropanoylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-hydroxypropanoylamino)acetate?
The canonical SMILES for tert-butyl 2-(2-hydroxypropanoylamino)acetate is CC(O)C(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-hydroxypropanoylamino)acetate?
The InChIKey is ZEVBAWKVMNLRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(11)8(13)10-5-7(12)14-9(2,3)4/h6,11H,5H2,1-4H3,(H,10,13).
What are the key properties of tert-butyl 2-(2-hydroxypropanoylamino)acetate?
tert-butyl 2-(2-hydroxypropanoylamino)acetate has a molecular weight of 203.24 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxypropanoylamino)acetate is sourced from PubChem (CID 169085959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).