1-methoxypropan-2-yloxycarbonylcarbamic acid

C6H11NO5 — CID 59787138

IUPAC1-methoxypropan-2-yloxycarbonylcarbamic acid
SMILESCOCC(C)OC(=O)NC(=O)O
InChIInChI=1S/C6H11NO5/c1-4(3-11-2)12-6(10)7-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyISIJPKLWXLJMQF-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.43
Rot. Bonds3

About 1-methoxypropan-2-yloxycarbonylcarbamic acid

1-methoxypropan-2-yloxycarbonylcarbamic acid (PubChem CID 59787138) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-methoxypropan-2-yloxycarbonylcarbamic acid.

Molecular Properties

Compound Name1-methoxypropan-2-yloxycarbonylcarbamic acid
PubChem CID59787138
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name1-methoxypropan-2-yloxycarbonylcarbamic acid
SMILESCOCC(C)OC(=O)NC(=O)O
InChIInChI=1S/C6H11NO5/c1-4(3-11-2)12-6(10)7-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyISIJPKLWXLJMQF-UHFFFAOYSA-N
XLogP0.43
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pentan-2-yloxycarbonylcarbamic acid
CID 163661186
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bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate
CID 131978337
methoxyethane;1-methoxypropan-2-yl acetate
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1-methoxypropan-2-yl 2-sulfanylpropanoate
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dimethyl butanedioate;1-methoxypropan-2-yl acetate
CID 18699572
acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
CID 158088534
2-O,3-O-bis(1-methoxypropan-2-yl) 1-O,4-O-dimethyl butane-1,2,3,4-tetracarboxylate
CID 58177628
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
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1-O-ethyl 4-O-(1-methoxypropan-2-yl) (E)-but-2-enedioate
CID 102022486

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yloxycarbonylcarbamic acid?
The IUPAC name of 1-methoxypropan-2-yloxycarbonylcarbamic acid (CID 59787138) is 1-methoxypropan-2-yloxycarbonylcarbamic acid.
What is the SMILES notation for 1-methoxypropan-2-yloxycarbonylcarbamic acid?
The canonical SMILES for 1-methoxypropan-2-yloxycarbonylcarbamic acid is COCC(C)OC(=O)NC(=O)O.
What is the InChIKey of 1-methoxypropan-2-yloxycarbonylcarbamic acid?
The InChIKey is ISIJPKLWXLJMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c1-4(3-11-2)12-6(10)7-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9).
What are the key properties of 1-methoxypropan-2-yloxycarbonylcarbamic acid?
1-methoxypropan-2-yloxycarbonylcarbamic acid has a molecular weight of 177.16 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yloxycarbonylcarbamic acid is sourced from PubChem (CID 59787138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).