[(2R)-1-amino-3-cyanopropan-2-yl] acetate

C6H10N2O2 — CID 130737264

IUPAC[(2R)-1-amino-3-cyanopropan-2-yl] acetate
SMILESCC(=O)O[C@@H](CN)CC#N
InChIInChI=1S/C6H10N2O2/c1-5(9)10-6(4-8)2-3-7/h6H,2,4,8H2,1H3/t6-/m1/s1
InChIKeyORDAZWXNIRGAOZ-ZCFIWIBFSA-N
MW142.16 g/mol
LogP-0.21
Rot. Bonds3

About [(2R)-1-amino-3-cyanopropan-2-yl] acetate

[(2R)-1-amino-3-cyanopropan-2-yl] acetate (PubChem CID 130737264) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is [(2R)-1-amino-3-cyanopropan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-amino-3-cyanopropan-2-yl] acetate
PubChem CID130737264
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name[(2R)-1-amino-3-cyanopropan-2-yl] acetate
SMILESCC(=O)O[C@@H](CN)CC#N
InChIInChI=1S/C6H10N2O2/c1-5(9)10-6(4-8)2-3-7/h6H,2,4,8H2,1H3/t6-/m1/s1
InChIKeyORDAZWXNIRGAOZ-ZCFIWIBFSA-N
XLogP-0.21
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-aminopent-4-yn-2-yl acetate
CID 88882221
methyl 3-acetyloxy-4-cyanobutanoate
CID 23256161
[(2S)-1-cyanobutan-2-yl] acetate;3-hydroxypentanenitrile;(3R)-3-hydroxypentanenitrile
CID 158298430
(2S)-2-acetyloxy-3-cyanopropanoic acid
CID 148549331
[(2R)-1-cyano-3-phenoxypropan-2-yl] acetate
CID 101129348
[(2R)-1-cyano-3-(4-methylphenoxy)propan-2-yl] acetate
CID 11218534
methyl (2S,3R)-2,3-diacetyloxy-4-cyanobutanoate
CID 11831626
[(2R)-1-cyano-3-phenylmethoxypropan-2-yl] acetate
CID 15965802
methyl 2-(aminomethyl)-3-cyanopropanoate
CID 158944496
[(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate
CID 101129347
1,3-dicyanopropan-2-yl 2-tert-butyl-4,4-dimethylpentanoate
CID 143828538
(3-carbamoyloxy-4-cyanobutyl) 2-methylprop-2-enoate
CID 88645522

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-3-cyanopropan-2-yl] acetate?
The IUPAC name of [(2R)-1-amino-3-cyanopropan-2-yl] acetate (CID 130737264) is [(2R)-1-amino-3-cyanopropan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-amino-3-cyanopropan-2-yl] acetate?
The canonical SMILES for [(2R)-1-amino-3-cyanopropan-2-yl] acetate is CC(=O)O[C@@H](CN)CC#N.
What is the InChIKey of [(2R)-1-amino-3-cyanopropan-2-yl] acetate?
The InChIKey is ORDAZWXNIRGAOZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(9)10-6(4-8)2-3-7/h6H,2,4,8H2,1H3/t6-/m1/s1.
What are the key properties of [(2R)-1-amino-3-cyanopropan-2-yl] acetate?
[(2R)-1-amino-3-cyanopropan-2-yl] acetate has a molecular weight of 142.16 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-3-cyanopropan-2-yl] acetate is sourced from PubChem (CID 130737264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).