tert-butyl (3R)-3-aminohex-4-enoate

C10H19NO2 — CID 2733827

IUPACtert-butyl (3R)-3-aminohex-4-enoate
SMILESCC=C[C@H](N)CC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-8(11)7-9(12)13-10(2,3)4/h5-6,8H,7,11H2,1-4H3/t8-/m0/s1
InChIKeyLHUYXHJTMVKEOM-QMMMGPOBSA-N
MW185.27 g/mol
LogP1.62
Rot. Bonds3

About tert-butyl (3R)-3-aminohex-4-enoate

tert-butyl (3R)-3-aminohex-4-enoate (PubChem CID 2733827) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminohex-4-enoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-aminohex-4-enoate
PubChem CID2733827
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl (3R)-3-aminohex-4-enoate
SMILESCC=C[C@H](N)CC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-8(11)7-9(12)13-10(2,3)4/h5-6,8H,7,11H2,1-4H3/t8-/m0/s1
InChIKeyLHUYXHJTMVKEOM-QMMMGPOBSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3,3-diaminopropanoate
CID 57031897
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl (3S)-3-amino-4,4-dihydroxybutanoate
CID 139456392
tert-butyl (3S)-3,4-diamino-4-oxobutanoate
CID 7019655
tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate
CID 123359932
ditert-butyl (3S)-3-amino-2-oxopentanedioate
CID 175802480
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl 6-amino-3,5-dihydroxyhexanoate
CID 87112903
tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate
CID 88580512
[1-methoxy-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]phosphanium
CID 123691775
tert-butyl 4-amino-3-methoxybutanoate
CID 102921115
1-O,3-O-ditert-butyl 2-O-methyl (1S,2R)-1-aminopropane-1,2,3-tricarboxylate
CID 10757845

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminohex-4-enoate?
The IUPAC name of tert-butyl (3R)-3-aminohex-4-enoate (CID 2733827) is tert-butyl (3R)-3-aminohex-4-enoate.
What is the SMILES notation for tert-butyl (3R)-3-aminohex-4-enoate?
The canonical SMILES for tert-butyl (3R)-3-aminohex-4-enoate is CC=C[C@H](N)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-aminohex-4-enoate?
The InChIKey is LHUYXHJTMVKEOM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-8(11)7-9(12)13-10(2,3)4/h5-6,8H,7,11H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (3R)-3-aminohex-4-enoate?
tert-butyl (3R)-3-aminohex-4-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-aminohex-4-enoate is sourced from PubChem (CID 2733827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).