trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid

C9H17NO3 — CID 97300458

IUPACtrans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCO[C@@H]1C[C@](N)(C(=O)O)C1(C)C
InChIInChI=1S/C9H17NO3/c1-4-13-6-5-9(10,7(11)12)8(6,2)3/h6H,4-5,10H2,1-3H3,(H,11,12)/t6-,9+/m1/s1
InChIKeySYHVEFMYHPPEGV-MUWHJKNJSA-N
MW187.24 g/mol
LogP0.60
Rot. Bonds3

About trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid

trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 97300458) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID97300458
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametrans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCO[C@@H]1C[C@](N)(C(=O)O)C1(C)C
InChIInChI=1S/C9H17NO3/c1-4-13-6-5-9(10,7(11)12)8(6,2)3/h6H,4-5,10H2,1-3H3,(H,11,12)/t6-,9+/m1/s1
InChIKeySYHVEFMYHPPEGV-MUWHJKNJSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
CID 138991439
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
1-amino-3-ethoxy-N-ethyl-N,2,2-trimethylcyclobutane-1-carboxamide
CID 114828043
1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide
CID 114828939
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122
1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114829280
1-amino-3-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 114829130
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid (CID 97300458) is trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid is CCO[C@@H]1C[C@](N)(C(=O)O)C1(C)C.
What is the InChIKey of trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is SYHVEFMYHPPEGV-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-13-6-5-9(10,7(11)12)8(6,2)3/h6H,4-5,10H2,1-3H3,(H,11,12)/t6-,9+/m1/s1.
What are the key properties of trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 97300458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).