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

C10H17NO6 — CID 87566391

IUPAC2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCOC(=O)CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11(5-7(12)13)6-8(14)16-4/h5-6H2,1-4H3,(H,12,13)
InChIKeyIAFATQATYJUNQN-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.48
Rot. Bonds4

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

2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 87566391) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID87566391
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCOC(=O)CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11(5-7(12)13)6-8(14)16-4/h5-6H2,1-4H3,(H,12,13)
InChIKeyIAFATQATYJUNQN-UHFFFAOYSA-N
XLogP0.48
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(tert-Butoxycarbonyl)iminodiacetic Acid
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N-Boc-diethanolamine
CID 4360601
2-{[(Tert-butoxy)carbonyl](prop-2-yn-1-yl)amino}acetic acid
CID 10262630
2-{[(Tert-butoxy)carbonyl](cyclopropyl)amino}acetic acid
CID 22476118
2-{[(Tert-butoxy)carbonyl](ethyl)amino}acetic acid
CID 12991451
2-{[(Tert-butoxy)carbonyl](2-methylpropyl)amino}acetic acid
CID 23033833
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 87566391) is 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is COC(=O)CN(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is IAFATQATYJUNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11(5-7(12)13)6-8(14)16-4/h5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 87566391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).