2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid

C12H21NO3 — CID 66321825

IUPAC2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid
SMILESNC(COCC1CCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H21NO3/c13-12(11(14)15,10-5-6-10)8-16-7-9-3-1-2-4-9/h9-10H,1-8,13H2,(H,14,15)
InChIKeyVLAQKRAASVCEDU-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.39
Rot. Bonds6

About 2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid

2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid (PubChem CID 66321825) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid
PubChem CID66321825
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid
SMILESNC(COCC1CCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H21NO3/c13-12(11(14)15,10-5-6-10)8-16-7-9-3-1-2-4-9/h9-10H,1-8,13H2,(H,14,15)
InChIKeyVLAQKRAASVCEDU-UHFFFAOYSA-N
XLogP1.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid
CID 106204435
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
3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
CID 66324387
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid
CID 106931571
cyclopentylmethyl 2-amino-2-methylpropanoate
CID 66321792
2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
CID 63920955
2-amino-3-cyclohexyloxy-2-cyclopropylpropanamide
CID 63918796
4-(cyclohexylmethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 59030191
3-(cyclohexylmethoxy)propanamide
CID 22444983
3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide
CID 55066159

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid (CID 66321825) is 2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid is NC(COCC1CCCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid?
The InChIKey is VLAQKRAASVCEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c13-12(11(14)15,10-5-6-10)8-16-7-9-3-1-2-4-9/h9-10H,1-8,13H2,(H,14,15).
What are the key properties of 2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid?
2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 66321825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).