(2S)-2-aminopropanoic acid;tert-butyl formate;ethane

C14H35NO4 — CID 143475350

IUPAC(2S)-2-aminopropanoic acid;tert-butyl formate;ethane
SMILESCC.CC.CC.CC(C)(C)OC=O.C[C@H](N)C(=O)O
InChIInChI=1S/C5H10O2.C3H7NO2.3C2H6/c1-5(2,3)7-4-6;1-2(4)3(5)6;3*1-2/h4H,1-3H3;2H,4H2,1H3,(H,5,6);3*1-2H3/t;2-;;;/m.0.../s1
InChIKeyRMPFSEDOJTVXGZ-OWEGHGDDSA-N
MW281.44 g/mol
LogP3.45
Rot. Bonds2

About (2S)-2-aminopropanoic acid;tert-butyl formate;ethane

(2S)-2-aminopropanoic acid;tert-butyl formate;ethane (PubChem CID 143475350) has the molecular formula C14H35NO4 and a molecular weight of 281.44 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;tert-butyl formate;ethane.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;tert-butyl formate;ethane
PubChem CID143475350
Molecular FormulaC14H35NO4
Molecular Weight281.44 g/mol
Exact Mass281.26
IUPAC Name(2S)-2-aminopropanoic acid;tert-butyl formate;ethane
SMILESCC.CC.CC.CC(C)(C)OC=O.C[C@H](N)C(=O)O
InChIInChI=1S/C5H10O2.C3H7NO2.3C2H6/c1-5(2,3)7-4-6;1-2(4)3(5)6;3*1-2/h4H,1-3H3;2H,4H2,1H3,(H,5,6);3*1-2H3/t;2-;;;/m.0.../s1
InChIKeyRMPFSEDOJTVXGZ-OWEGHGDDSA-N
XLogP3.45
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;ethane
CID 175326717
(2S)-2-aminopropanoic acid
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(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
tert-butyl formate;carbamic acid;piperazine
CID 174978332
(2S)-2-aminopropanoic acid;tris(2,2,2-trichloroacetaldehyde)
CID 173298655
(2S)-2-aminopropanoic acid;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 91150846
(2S)-2-aminopropanoic acid;polane
CID 173022618
CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
benzene;tert-butyl formate;hydrobromide;dihydrofluoride
CID 175237479

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;tert-butyl formate;ethane?
The IUPAC name of (2S)-2-aminopropanoic acid;tert-butyl formate;ethane (CID 143475350) is (2S)-2-aminopropanoic acid;tert-butyl formate;ethane.
What is the SMILES notation for (2S)-2-aminopropanoic acid;tert-butyl formate;ethane?
The canonical SMILES for (2S)-2-aminopropanoic acid;tert-butyl formate;ethane is CC.CC.CC.CC(C)(C)OC=O.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;tert-butyl formate;ethane?
The InChIKey is RMPFSEDOJTVXGZ-OWEGHGDDSA-N. The full InChI is InChI=1S/C5H10O2.C3H7NO2.3C2H6/c1-5(2,3)7-4-6;1-2(4)3(5)6;3*1-2/h4H,1-3H3;2H,4H2,1H3,(H,5,6);3*1-2H3/t;2-;;;/m.0.../s1.
What are the key properties of (2S)-2-aminopropanoic acid;tert-butyl formate;ethane?
(2S)-2-aminopropanoic acid;tert-butyl formate;ethane has a molecular weight of 281.44 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;tert-butyl formate;ethane is sourced from PubChem (CID 143475350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).