4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid

C18H37NO5Si — CID 156663033

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid
SMILESCC(C)[Si](OC(CCNC(=O)OC(C)(C)C)C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C18H37NO5Si/c1-12(2)25(13(3)4,14(5)6)24-15(16(20)21)10-11-19-17(22)23-18(7,8)9/h12-15H,10-11H2,1-9H3,(H,19,22)(H,20,21)
InChIKeyAOXHFGOFYCPSCU-UHFFFAOYSA-N
MW375.58 g/mol
LogP4.55
Rot. Bonds9

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid (PubChem CID 156663033) has the molecular formula C18H37NO5Si and a molecular weight of 375.58 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid
PubChem CID156663033
Molecular FormulaC18H37NO5Si
Molecular Weight375.58 g/mol
Exact Mass375.24
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid
SMILESCC(C)[Si](OC(CCNC(=O)OC(C)(C)C)C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C18H37NO5Si/c1-12(2)25(13(3)4,14(5)6)24-15(16(20)21)10-11-19-17(22)23-18(7,8)9/h12-15H,10-11H2,1-9H3,(H,19,22)(H,20,21)
InChIKeyAOXHFGOFYCPSCU-UHFFFAOYSA-N
XLogP4.55
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.58
LogP ≤ 54.55
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

(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride
CID 138683443
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 174463288
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 131165923
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoic acid
CID 121366415
tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid
CID 121437627
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]heptanedioic acid
CID 177138583
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid (CID 156663033) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid is CC(C)[Si](OC(CCNC(=O)OC(C)(C)C)C(=O)O)(C(C)C)C(C)C.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid?
The InChIKey is AOXHFGOFYCPSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO5Si/c1-12(2)25(13(3)4,14(5)6)24-15(16(20)21)10-11-19-17(22)23-18(7,8)9/h12-15H,10-11H2,1-9H3,(H,19,22)(H,20,21).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid has a molecular weight of 375.58 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid is sourced from PubChem (CID 156663033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).