3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid

C11H21NO3 — CID 65054827

IUPAC3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid
SMILESCCC(COC)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H21NO3/c1-3-9(8-15-2)12(10-4-5-10)7-6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyCDHWZDSDAXHLOI-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds8

About 3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid

3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid (PubChem CID 65054827) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid
PubChem CID65054827
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid
SMILESCCC(COC)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H21NO3/c1-3-9(8-15-2)12(10-4-5-10)7-6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyCDHWZDSDAXHLOI-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid
CID 65067772
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-cyclopropylamino]propanoic acid
CID 61161442
3-[cyclopropyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 65048180
3-[1-(5-bromo-2-hydroxyphenyl)propyl-cyclopropylamino]propanoic acid
CID 65054534
3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid
CID 65059099
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
3-[cyclopropyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 54925563
3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid
CID 79490093
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate
CID 115536847
2-[cyclopropyl(2-methoxyethyl)amino]butanamide
CID 62900857
3-[cyclopropyl(2-ethoxyethyl)amino]propanoic acid
CID 60838703

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid (CID 65054827) is 3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid is CCC(COC)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid?
The InChIKey is CDHWZDSDAXHLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(8-15-2)12(10-4-5-10)7-6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid?
3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 65054827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).