(4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one

C6H10N2O2 — CID 51898066

IUPAC(4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one
SMILESC[C@H](N)C1=N[C@H](C)C(=O)O1
InChIInChI=1S/C6H10N2O2/c1-3(7)5-8-4(2)6(9)10-5/h3-4H,7H2,1-2H3/t3-,4+/m0/s1
InChIKeyQXHHHNXNVPRWDG-IUYQGCFVSA-N
MW142.16 g/mol
LogP-0.32
Rot. Bonds1

About (4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one

(4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one (PubChem CID 51898066) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one
PubChem CID51898066
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one
SMILESC[C@H](N)C1=N[C@H](C)C(=O)O1
InChIInChI=1S/C6H10N2O2/c1-3(7)5-8-4(2)6(9)10-5/h3-4H,7H2,1-2H3/t3-,4+/m0/s1
InChIKeyQXHHHNXNVPRWDG-IUYQGCFVSA-N
XLogP-0.32
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4S)-2-[(1S)-1-aminoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 57120811
ethyl (4S)-2-(1-aminoethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 57322866
2-(1,2-Diaminoethyl)-4,4-dimethyl-1,3-oxazol-5-one
CID 129309650
2-(1-Amino-2-iodoethyl)-4,4-dimethyl-1,3-oxazol-5-one
CID 129309688
2-ethyl-4-methyl-4H-1,3-oxazol-5-one
CID 142358033
4,5-Diamino-2-methyl-4,5-dihydro-1,3-oxazin-6-one
CID 143871919
2-(1-Aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one
CID 144607475
[N-(aminomethyl)-C-methylcarbonimidoyl] 2-aminopropanoate
CID 173759319
2-(1-Aminoethyl)-4-methyloxazol-5(4H)-one
CID 44558564
2-(aminomethyl)-4-methyl-4H-1,3-oxazol-5-one
CID 44558565
(4S)-2-(aminomethyl)-4-methyl-4H-1,3-oxazol-5-one
CID 45086554
(4R)-2-(aminomethyl)-4-methyl-4H-1,3-oxazol-5-one
CID 51898062

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one?
The IUPAC name of (4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one (CID 51898066) is (4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one?
The canonical SMILES for (4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one is C[C@H](N)C1=N[C@H](C)C(=O)O1.
What is the InChIKey of (4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one?
The InChIKey is QXHHHNXNVPRWDG-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3(7)5-8-4(2)6(9)10-5/h3-4H,7H2,1-2H3/t3-,4+/m0/s1.
What are the key properties of (4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one?
(4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one has a molecular weight of 142.16 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 51898066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).