tert-butyl-[2-(carboxyamino)ethyl]carbamic acid

C8H16N2O4 — CID 70426264

IUPACtert-butyl-[2-(carboxyamino)ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-8(2,3)10(7(13)14)5-4-9-6(11)12/h9H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyHWCSKHRNHQOFSC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.03
Rot. Bonds3

About tert-butyl-[2-(carboxyamino)ethyl]carbamic acid

tert-butyl-[2-(carboxyamino)ethyl]carbamic acid (PubChem CID 70426264) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is tert-butyl-[2-(carboxyamino)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(carboxyamino)ethyl]carbamic acid
PubChem CID70426264
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Nametert-butyl-[2-(carboxyamino)ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-8(2,3)10(7(13)14)5-4-9-6(11)12/h9H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyHWCSKHRNHQOFSC-UHFFFAOYSA-N
XLogP1.03
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(carboxyamino)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(carboxyamino)ethyl]carbamic acid (CID 70426264) is tert-butyl-[2-(carboxyamino)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(carboxyamino)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(carboxyamino)ethyl]carbamic acid is CC(C)(C)N(CCNC(=O)O)C(=O)O.
What is the InChIKey of tert-butyl-[2-(carboxyamino)ethyl]carbamic acid?
The InChIKey is HWCSKHRNHQOFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-8(2,3)10(7(13)14)5-4-9-6(11)12/h9H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of tert-butyl-[2-(carboxyamino)ethyl]carbamic acid?
tert-butyl-[2-(carboxyamino)ethyl]carbamic acid has a molecular weight of 204.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(carboxyamino)ethyl]carbamic acid is sourced from PubChem (CID 70426264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).