(4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one

C6H12N2O2 — CID 10909689

IUPAC(4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1N
InChIInChI=1S/C6H12N2O2/c1-4(2)5-3-10-6(9)8(5)7/h4-5H,3,7H2,1-2H3/t5-/m1/s1
InChIKeyHORXQDKUJVWRKN-RXMQYKEDSA-N
MW144.17 g/mol
LogP0.34
Rot. Bonds1

About (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10909689) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10909689
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1N
InChIInChI=1S/C6H12N2O2/c1-4(2)5-3-10-6(9)8(5)7/h4-5H,3,7H2,1-2H3/t5-/m1/s1
InChIKeyHORXQDKUJVWRKN-RXMQYKEDSA-N
XLogP0.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[[(3R)-2-methylpentan-3-yl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11229929
ethyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
CID 11557569
(R)-Ethyl (4-ethyl-2-oxooxazolidin-3-yl)carbamate
CID 45094667
3-Amino-4-methyl-1,3-oxazolidin-2-one
CID 21907464
3-Amino-5-propan-2-yl-1,3-oxazolidin-2-one
CID 68302724
3-(Methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 129126776
3-Amino-4-methyl-1,3-oxazolidin-2-one;ethane
CID 142338950
3-Amino-4,5-dimethyl-1,3-oxazolidin-2-one
CID 144164807
2-Oxazolidinone, 4-(1-methylethyl)-3-nitroso-
CID 45096042
ethyl N-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
CID 45139374
(4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one
CID 53359424
(4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one
CID 71387380

Frequently Asked Questions

What is the IUPAC name of (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10909689) is (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1N.
What is the InChIKey of (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HORXQDKUJVWRKN-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)5-3-10-6(9)8(5)7/h4-5H,3,7H2,1-2H3/t5-/m1/s1.
What are the key properties of (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10909689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).