tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate

C11H21NO3 — CID 11298867

IUPACtert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate
SMILESC=C(CC)[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h9,13H,2,6-7H2,1,3-5H3,(H,12,14)/t9-/m1/s1
InChIKeyYOOOANLJXPKTFV-SECBINFHSA-N
MW215.29 g/mol
LogP1.84
Rot. Bonds4

About tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate (PubChem CID 11298867) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate
PubChem CID11298867
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate
SMILESC=C(CC)[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h9,13H,2,6-7H2,1,3-5H3,(H,12,14)/t9-/m1/s1
InChIKeyYOOOANLJXPKTFV-SECBINFHSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl (1-hydroxybut-3-en-2-yl)carbamate
CID 13517889
N-Boc-DL-2-amino-1-pentanol
CID 13969853
(S)-tert-butyl 1-hydroxybut-3-en-2-ylcarbamate
CID 11041481
tert-butyl N-[(2R,3S)-1-hydroxy-3-methoxy-3-methylhex-5-en-2-yl]carbamate
CID 60128270
tert-butyl N-(4-hydroxypent-1-en-3-yl)carbamate
CID 72324601
tert-butyl N-[(2S)-3-hydroxyhex-5-en-2-yl]carbamate
CID 131165381
tert-butyl N-[(4S,5S)-5-hydroxyhept-1-en-4-yl]carbamate
CID 25137290
tert-butyl N-(4-hydroxyhex-1-en-3-yl)carbamate
CID 129987168
tert-butyl N-(4-hydroxy-5-methylhex-1-en-3-yl)carbamate
CID 129987169
tert-butyl N-[(2S)-3,3-difluoro-1-hydroxyhex-5-en-2-yl]carbamate
CID 56954433
tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
CID 130003566
tert-butyl N-[(Z,2S)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
CID 131247660

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate (CID 11298867) is tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate is C=C(CC)[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate?
The InChIKey is YOOOANLJXPKTFV-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h9,13H,2,6-7H2,1,3-5H3,(H,12,14)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-3-methylidenepentan-2-yl]carbamate is sourced from PubChem (CID 11298867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).