tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate

C10H19NO4 — CID 10878590

IUPACtert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate
SMILESC=C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CO
InChIInChI=1S/C10H19NO4/c1-5-7(8(13)6-12)11-9(14)15-10(2,3)4/h5,7-8,12-13H,1,6H2,2-4H3,(H,11,14)/t7-,8+/m0/s1
InChIKeyKMUVTHAHRJWHSC-JGVFFNPUSA-N
MW217.26 g/mol
LogP0.42
Rot. Bonds4

About tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate

tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate (PubChem CID 10878590) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate
PubChem CID10878590
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate
SMILESC=C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CO
InChIInChI=1S/C10H19NO4/c1-5-7(8(13)6-12)11-9(14)15-10(2,3)4/h5,7-8,12-13H,1,6H2,2-4H3,(H,11,14)/t7-,8+/m0/s1
InChIKeyKMUVTHAHRJWHSC-JGVFFNPUSA-N
XLogP0.42
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3S)-1-hydroxy-2-sulfanylhex-5-en-3-yl]carbamate
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tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate
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tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
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tert-butyl N-(4-hydroxy-2,2-dimethylhex-5-en-3-yl)carbamate
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(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
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tert-butyl N-[(2S)-1-hydroxy-3,3-dimethylhex-5-en-2-yl]carbamate
CID 163276049
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111
tert-butyl N-[(3S)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
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tert-butyl N-(5-oxopent-1-en-3-yl)carbamate
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tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate
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tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate (CID 10878590) is tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate is C=C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CO.
What is the InChIKey of tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate?
The InChIKey is KMUVTHAHRJWHSC-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-7(8(13)6-12)11-9(14)15-10(2,3)4/h5,7-8,12-13H,1,6H2,2-4H3,(H,11,14)/t7-,8+/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate?
tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate is sourced from PubChem (CID 10878590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).