[1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid

C16H32N2O5Si — CID 68713325

IUPAC[1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid
SMILESCC(OC(=O)N(C)CC(C[C@H]1CCCOC1)NC(=O)O)[Si](C)(C)C
InChIInChI=1S/C16H32N2O5Si/c1-12(24(3,4)5)23-16(21)18(2)10-14(17-15(19)20)9-13-7-6-8-22-11-13/h12-14,17H,6-11H2,1-5H3,(H,19,20)/t12?,13-,14?/m1/s1
InChIKeyYIFUTSXSCICVLV-ROKHWSDSSA-N
MW360.53 g/mol
LogP2.77
Rot. Bonds7

About [1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid

[1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid (PubChem CID 68713325) has the molecular formula C16H32N2O5Si and a molecular weight of 360.53 g/mol. Its IUPAC name is [1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid
PubChem CID68713325
Molecular FormulaC16H32N2O5Si
Molecular Weight360.53 g/mol
Exact Mass360.21
IUPAC Name[1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid
SMILESCC(OC(=O)N(C)CC(C[C@H]1CCCOC1)NC(=O)O)[Si](C)(C)C
InChIInChI=1S/C16H32N2O5Si/c1-12(24(3,4)5)23-16(21)18(2)10-14(17-15(19)20)9-13-7-6-8-22-11-13/h12-14,17H,6-11H2,1-5H3,(H,19,20)/t12?,13-,14?/m1/s1
InChIKeyYIFUTSXSCICVLV-ROKHWSDSSA-N
XLogP2.77
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(methylamino)-3-(oxan-3-yl)propan-2-yl]carbamic acid
CID 67366140
[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid
CID 69191542
propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
CID 116656071
2-methoxy-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 115618168
molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane
CID 143487005
methyl 3-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713446
[1-amino-4,4-dimethyl-2-[[(3S)-oxan-3-yl]methyl]pentan-3-yl]carbamic acid
CID 67253327
3-[methyl-[2-(oxan-3-yl)acetyl]amino]butanoic acid
CID 110837484
2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63706388
[(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid
CID 67079210
(2S)-2-fluoro-3-[(3S)-oxan-3-yl]propanoic acid
CID 129372190
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-3-yl)propanoate
CID 169233574

Frequently Asked Questions

What is the IUPAC name of [1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid?
The IUPAC name of [1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid (CID 68713325) is [1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid.
What is the SMILES notation for [1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid?
The canonical SMILES for [1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid is CC(OC(=O)N(C)CC(C[C@H]1CCCOC1)NC(=O)O)[Si](C)(C)C.
What is the InChIKey of [1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid?
The InChIKey is YIFUTSXSCICVLV-ROKHWSDSSA-N. The full InChI is InChI=1S/C16H32N2O5Si/c1-12(24(3,4)5)23-16(21)18(2)10-14(17-15(19)20)9-13-7-6-8-22-11-13/h12-14,17H,6-11H2,1-5H3,(H,19,20)/t12?,13-,14?/m1/s1.
What are the key properties of [1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid?
[1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid has a molecular weight of 360.53 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid is sourced from PubChem (CID 68713325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).