3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid

C14H26N2O5 — CID 104764160

IUPAC3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid
SMILESCOC1(CNC(=O)N(CCC(=O)O)C(C)(C)C)CCOC1
InChIInChI=1S/C14H26N2O5/c1-13(2,3)16(7-5-11(17)18)12(19)15-9-14(20-4)6-8-21-10-14/h5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyDCYBGPKDCORQHY-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.08
Rot. Bonds6

About 3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid

3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid (PubChem CID 104764160) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid
PubChem CID104764160
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid
SMILESCOC1(CNC(=O)N(CCC(=O)O)C(C)(C)C)CCOC1
InChIInChI=1S/C14H26N2O5/c1-13(2,3)16(7-5-11(17)18)12(19)15-9-14(20-4)6-8-21-10-14/h5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyDCYBGPKDCORQHY-UHFFFAOYSA-N
XLogP1.08
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid (CID 104764160) is 3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid is COC1(CNC(=O)N(CCC(=O)O)C(C)(C)C)CCOC1.
What is the InChIKey of 3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is DCYBGPKDCORQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-13(2,3)16(7-5-11(17)18)12(19)15-9-14(20-4)6-8-21-10-14/h5-10H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid?
3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 302.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 104764160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).