3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen

C8H17NO4 — CID 143124264

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
SMILESCC(C)(C)OC(=O)NCCC(=O)O.[H][H]
InChIInChI=1S/C8H15NO4.H2/c1-8(2,3)13-7(12)9-5-4-6(10)11;/h4-5H2,1-3H3,(H,9,12)(H,10,11);1H
InChIKeySOBQZCNZTSUCSQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.23
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen

3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen (PubChem CID 143124264) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
PubChem CID143124264
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
SMILESCC(C)(C)OC(=O)NCCC(=O)O.[H][H]
InChIInChI=1S/C8H15NO4.H2/c1-8(2,3)13-7(12)9-5-4-6(10)11;/h4-5H2,1-3H3,(H,9,12)(H,10,11);1H
InChIKeySOBQZCNZTSUCSQ-UHFFFAOYSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]heptanedioic acid
CID 177138583
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid
CID 171702836
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoic acid
CID 171702826
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
8-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dioxooctanoic acid
CID 175573604
ethane;3-(methoxycarbonylamino)propanoic acid
CID 145468285
tert-butyl N-(3-hydroxypent-3-enyl)carbamate
CID 118047416
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 51341057
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 75534948
(E)-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-4-enoic acid
CID 10444454

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen (CID 143124264) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen is CC(C)(C)OC(=O)NCCC(=O)O.[H][H].
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen?
The InChIKey is SOBQZCNZTSUCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.H2/c1-8(2,3)13-7(12)9-5-4-6(10)11;/h4-5H2,1-3H3,(H,9,12)(H,10,11);1H.
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen?
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen has a molecular weight of 191.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen is sourced from PubChem (CID 143124264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).