methyl (4R)-4-amino-4-cyclopropylbutanoate

C8H15NO2 — CID 169118998

IUPACmethyl (4R)-4-amino-4-cyclopropylbutanoate
SMILESCOC(=O)CC[C@@H](N)C1CC1
InChIInChI=1S/C8H15NO2/c1-11-8(10)5-4-7(9)6-2-3-6/h6-7H,2-5,9H2,1H3/t7-/m1/s1
InChIKeyRTQRGSQOTHDPKB-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds4

About methyl (4R)-4-amino-4-cyclopropylbutanoate

methyl (4R)-4-amino-4-cyclopropylbutanoate (PubChem CID 169118998) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl (4R)-4-amino-4-cyclopropylbutanoate.

Molecular Properties

Compound Namemethyl (4R)-4-amino-4-cyclopropylbutanoate
PubChem CID169118998
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl (4R)-4-amino-4-cyclopropylbutanoate
SMILESCOC(=O)CC[C@@H](N)C1CC1
InChIInChI=1S/C8H15NO2/c1-11-8(10)5-4-7(9)6-2-3-6/h6-7H,2-5,9H2,1H3/t7-/m1/s1
InChIKeyRTQRGSQOTHDPKB-SSDOTTSWSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-3-cyclopropylpropanoate;hydrochloride
CID 71755746
(4S)-4-amino-4-cyclopropylbutanoic acid
CID 55291872
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl 4-amino-4-bromobutanoate
CID 175158187
methyl 4-cyclohexylpentanoate
CID 174916606
methyl 4-cyclohexyl-4-hydroxybutanoate
CID 18981365
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561
methyl (4S)-4-aminohexanoate
CID 130019319
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate
CID 115301229
methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate
CID 107778479
(1-amino-4-methoxy-4-oxobutyl)boronic acid
CID 18509192
(4R)-4-amino-4-cyclobutylbutanoic acid
CID 55293658

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-amino-4-cyclopropylbutanoate?
The IUPAC name of methyl (4R)-4-amino-4-cyclopropylbutanoate (CID 169118998) is methyl (4R)-4-amino-4-cyclopropylbutanoate.
What is the SMILES notation for methyl (4R)-4-amino-4-cyclopropylbutanoate?
The canonical SMILES for methyl (4R)-4-amino-4-cyclopropylbutanoate is COC(=O)CC[C@@H](N)C1CC1.
What is the InChIKey of methyl (4R)-4-amino-4-cyclopropylbutanoate?
The InChIKey is RTQRGSQOTHDPKB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-8(10)5-4-7(9)6-2-3-6/h6-7H,2-5,9H2,1H3/t7-/m1/s1.
What are the key properties of methyl (4R)-4-amino-4-cyclopropylbutanoate?
methyl (4R)-4-amino-4-cyclopropylbutanoate has a molecular weight of 157.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-amino-4-cyclopropylbutanoate is sourced from PubChem (CID 169118998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).