methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate

C10H17NO4 — CID 65443972

IUPACmethyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
SMILESCOC(=O)C(COCC1CC1)NC(C)=O
InChIInChI=1S/C10H17NO4/c1-7(12)11-9(10(13)14-2)6-15-5-8-3-4-8/h8-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyJBUGKZKTDGNGNP-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.09
Rot. Bonds6

About methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate

methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate (PubChem CID 65443972) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
PubChem CID65443972
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
SMILESCOC(=O)C(COCC1CC1)NC(C)=O
InChIInChI=1S/C10H17NO4/c1-7(12)11-9(10(13)14-2)6-15-5-8-3-4-8/h8-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyJBUGKZKTDGNGNP-UHFFFAOYSA-N
XLogP0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid
CID 83213226
methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate
CID 106446620
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
methyl 2-acetamido-3-prop-2-ynoxypropanoate
CID 75046402
methyl (2S)-2-acetamido-3-prop-2-ynoxypropanoate
CID 44542821
methyl 2-acetamido-3-(3,3-dimethylbutoxy)propanoate
CID 66233558
methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
CID 103251173
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
cyclopropylmethyl methyl carbonate
CID 54535586
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate
CID 65442802

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate?
The IUPAC name of methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate (CID 65443972) is methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate is COC(=O)C(COCC1CC1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate?
The InChIKey is JBUGKZKTDGNGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(12)11-9(10(13)14-2)6-15-5-8-3-4-8/h8-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate?
methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate has a molecular weight of 215.25 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate is sourced from PubChem (CID 65443972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).