3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid

C10H17NO4 — CID 106107430

IUPAC3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C(C)C1CC1)C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(7-3-4-7)9(12)11-5-8(15-2)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFSCPAVANYBANGQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.25
Rot. Bonds6

About 3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid

3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid (PubChem CID 106107430) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
PubChem CID106107430
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C(C)C1CC1)C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(7-3-4-7)9(12)11-5-8(15-2)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFSCPAVANYBANGQ-UHFFFAOYSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
CID 106107186
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid
CID 114144760
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 106110619
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid
CID 114144299
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 114144655
2-methoxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 106110229
2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
CID 106109025

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid?
The IUPAC name of 3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid (CID 106107430) is 3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid?
The canonical SMILES for 3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid is COC(CNC(=O)C(C)C1CC1)C(=O)O.
What is the InChIKey of 3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid?
The InChIKey is FSCPAVANYBANGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(7-3-4-7)9(12)11-5-8(15-2)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid?
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid is sourced from PubChem (CID 106107430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).