methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate

C9H17NO2 — CID 129385459

IUPACmethyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate
SMILESCCC1(CC)C[C@@]1(N)C(=O)OC
InChIInChI=1S/C9H17NO2/c1-4-8(5-2)6-9(8,10)7(11)12-3/h4-6,10H2,1-3H3/t9-/m1/s1
InChIKeyYHZLZMMKQONJRQ-SECBINFHSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds3

About methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate

methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate (PubChem CID 129385459) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate
PubChem CID129385459
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate
SMILESCCC1(CC)C[C@@]1(N)C(=O)OC
InChIInChI=1S/C9H17NO2/c1-4-8(5-2)6-9(8,10)7(11)12-3/h4-6,10H2,1-3H3/t9-/m1/s1
InChIKeyYHZLZMMKQONJRQ-SECBINFHSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
CID 67031096
cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate
CID 71528630
methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 167715905
methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride
CID 67031572
methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842789
methyl 10-aminospiro[4.5]decane-10-carboxylate
CID 83909665
methyl 1-amino-2,2-bis(2-aminopropanoyl)cyclobutane-1-carboxylate
CID 67827972
methyl 2-amino-6-thiaspiro[2.5]octane-2-carboxylate
CID 84670226
methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
CID 146204019
cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
CID 138991439
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate (CID 129385459) is methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate is CCC1(CC)C[C@@]1(N)C(=O)OC.
What is the InChIKey of methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate?
The InChIKey is YHZLZMMKQONJRQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-8(5-2)6-9(8,10)7(11)12-3/h4-6,10H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate?
methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate is sourced from PubChem (CID 129385459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).