2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid

C9H17NO3 — CID 63919758

IUPAC2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid
SMILESCC(C)OCC(N)(C(=O)O)C1CC1
InChIInChI=1S/C9H17NO3/c1-6(2)13-5-9(10,8(11)12)7-3-4-7/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyWESDPMAOHLBXQV-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.60
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid

2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid (PubChem CID 63919758) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid
PubChem CID63919758
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid
SMILESCC(C)OCC(N)(C(=O)O)C1CC1
InChIInChI=1S/C9H17NO3/c1-6(2)13-5-9(10,8(11)12)7-3-4-7/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyWESDPMAOHLBXQV-UHFFFAOYSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 63921124
2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid
CID 66321825
2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid
CID 106204435
2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
CID 63921885
2-amino-2-cyclopropyl-3-(diethylamino)propanoic acid
CID 63907227
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
2-amino-2-cyclopropyl-3-[cyclopropyl(ethyl)amino]propanoic acid
CID 63909323
2-amino-2-cyclopropyl-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63920220
methyl 2-amino-2-cyclopropyl-3-(3-methylbutylsulfanyl)propanoate
CID 107756174
2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
CID 63920955
2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid
CID 63909663
2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid
CID 21299180

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid (CID 63919758) is 2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid is CC(C)OCC(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid?
The InChIKey is WESDPMAOHLBXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)13-5-9(10,8(11)12)7-3-4-7/h6-7H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid?
2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.60, 5 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-propan-2-yloxypropanoic acid is sourced from PubChem (CID 63919758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).