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

C10H17NO4 — CID 22476118

IUPAC2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11(6-8(12)13)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyVPTQREPNFSXDEM-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.47
Rot. Bonds3

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

2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 22476118) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID22476118
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11(6-8(12)13)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyVPTQREPNFSXDEM-UHFFFAOYSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-{[(Tert-butoxy)carbonyl](2-methylpropyl)amino}acetic acid
CID 23033833
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
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CID 10586315
2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 22476118) is 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(C)OC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is VPTQREPNFSXDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11(6-8(12)13)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 22476118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).