2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid

C11H19NO3 — CID 106204435

IUPAC2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid
SMILESNC(COCCC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c12-11(10(13)14,9-3-4-9)7-15-6-5-8-1-2-8/h8-9H,1-7,12H2,(H,13,14)
InChIKeyXYTGABCQPIHETP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.00
Rot. Bonds7

About 2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid

2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid (PubChem CID 106204435) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid
PubChem CID106204435
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid
SMILESNC(COCCC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c12-11(10(13)14,9-3-4-9)7-15-6-5-8-1-2-8/h8-9H,1-7,12H2,(H,13,14)
InChIKeyXYTGABCQPIHETP-UHFFFAOYSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid
CID 66321825
2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid
CID 106204271
2-amino-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 63921124
2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid
CID 63919758
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
3-(2-cyclobutylethoxy)-2-cyclopropyl-2-(propan-2-ylamino)propanoic acid
CID 114157863
2-amino-2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 112589049
ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
CID 106204240
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
CID 63921710

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid (CID 106204435) is 2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid is NC(COCCC1CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid?
The InChIKey is XYTGABCQPIHETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c12-11(10(13)14,9-3-4-9)7-15-6-5-8-1-2-8/h8-9H,1-7,12H2,(H,13,14).
What are the key properties of 2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid?
2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid is sourced from PubChem (CID 106204435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).