2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid

C8H15NO5 — CID 106108243

IUPAC2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
SMILESCOC(CNC(=O)OC(C)C)C(=O)O
InChIInChI=1S/C8H15NO5/c1-5(2)14-8(12)9-4-6(13-3)7(10)11/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyBPXBFJBZRAPIES-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.22
Rot. Bonds5

About 2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid

2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid (PubChem CID 106108243) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
PubChem CID106108243
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
SMILESCOC(CNC(=O)OC(C)C)C(=O)O
InChIInChI=1S/C8H15NO5/c1-5(2)14-8(12)9-4-6(13-3)7(10)11/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyBPXBFJBZRAPIES-UHFFFAOYSA-N
XLogP0.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
CID 106107186
2-methoxy-3-(3-methylpentanoylamino)propanoic acid
CID 106107442
propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
CID 116656155
2-methoxy-3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 106109760
3-(but-3-en-2-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110511
propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66106917
3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
CID 81066315
2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 106109710
3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid
CID 114144281

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid (CID 106108243) is 2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid is COC(CNC(=O)OC(C)C)C(=O)O.
What is the InChIKey of 2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid?
The InChIKey is BPXBFJBZRAPIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-5(2)14-8(12)9-4-6(13-3)7(10)11/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of 2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid?
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid has a molecular weight of 205.21 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid is sourced from PubChem (CID 106108243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).