2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C10H19NO5 — CID 54593434

IUPAC2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11(5-6-15-4)7-8(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKeyDZQSFFPNXSRALH-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.95
Rot. Bonds5

About 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 54593434) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID54593434
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11(5-6-15-4)7-8(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKeyDZQSFFPNXSRALH-UHFFFAOYSA-N
XLogP0.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-{[(Tert-butoxy)carbonyl](ethyl)amino}acetic acid
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2-{[(Tert-butoxy)carbonyl](2-methylpropyl)amino}acetic acid
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2-[2,2-Dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 86054098
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
CID 10465935
2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
CID 12136629
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889
2-(((Tert-butoxy)carbonyl)(pentyl)amino)acetic acid
CID 87341033
2-{[(Tert-butoxy)carbonyl](2-methoxy-2-oxoethyl)amino}acetic acid
CID 87566391

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 54593434) is 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is DZQSFFPNXSRALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11(5-6-15-4)7-8(12)13/h5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 233.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 54593434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).