propan-2-yl (2R)-2-acetamidopropanoate

C8H15NO3 — CID 165357542

IUPACpropan-2-yl (2R)-2-acetamidopropanoate
SMILESCC(=O)N[C@H](C)C(=O)OC(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)12-8(11)6(3)9-7(4)10/h5-6H,1-4H3,(H,9,10)/t6-/m1/s1
InChIKeyVXKHUIHBQDZUCN-ZCFIWIBFSA-N
MW173.21 g/mol
LogP0.46
Rot. Bonds3

About propan-2-yl (2R)-2-acetamidopropanoate

propan-2-yl (2R)-2-acetamidopropanoate (PubChem CID 165357542) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is propan-2-yl (2R)-2-acetamidopropanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-acetamidopropanoate
PubChem CID165357542
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepropan-2-yl (2R)-2-acetamidopropanoate
SMILESCC(=O)N[C@H](C)C(=O)OC(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)12-8(11)6(3)9-7(4)10/h5-6H,1-4H3,(H,9,10)/t6-/m1/s1
InChIKeyVXKHUIHBQDZUCN-ZCFIWIBFSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-acetamidopropanoate
CID 6951031
[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 59423610
ethyl (2S)-2-acetamidopropanoate
CID 11805045
propan-2-yl 2-acetamido-3-hydroxypropanoate
CID 75094884
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
(3S)-3-acetamido-4-oxo-4-propan-2-yloxybutanoic acid
CID 71355612
(2S)-2-acetamidopropanoate
CID 6926438
propan-2-yl (2S)-2-acetamido-4-hydroxybutanoate
CID 87894989
propan-2-yl (2S)-2-acetamidopentanoate
CID 90680449
1-O,1-O-diethyl 2-O-propan-2-yl 2-acetamidoethane-1,1,2-tricarboxylate
CID 102516667
(2S)-2-acetamidopropanoate;copper(1+)
CID 175469092

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-acetamidopropanoate?
The IUPAC name of propan-2-yl (2R)-2-acetamidopropanoate (CID 165357542) is propan-2-yl (2R)-2-acetamidopropanoate.
What is the SMILES notation for propan-2-yl (2R)-2-acetamidopropanoate?
The canonical SMILES for propan-2-yl (2R)-2-acetamidopropanoate is CC(=O)N[C@H](C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2R)-2-acetamidopropanoate?
The InChIKey is VXKHUIHBQDZUCN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)12-8(11)6(3)9-7(4)10/h5-6H,1-4H3,(H,9,10)/t6-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-acetamidopropanoate?
propan-2-yl (2R)-2-acetamidopropanoate has a molecular weight of 173.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-acetamidopropanoate is sourced from PubChem (CID 165357542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).