tert-butyl (2S)-2-amino-5-methylhex-5-enoate

C11H21NO2 — CID 155170397

IUPACtert-butyl (2S)-2-amino-5-methylhex-5-enoate
SMILESC=C(C)CC[C@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)6-7-9(12)10(13)14-11(3,4)5/h9H,1,6-7,12H2,2-5H3/t9-/m0/s1
InChIKeyZVRBDRNURQRVLK-VIFPVBQESA-N
MW199.29 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl (2S)-2-amino-5-methylhex-5-enoate

tert-butyl (2S)-2-amino-5-methylhex-5-enoate (PubChem CID 155170397) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-5-methylhex-5-enoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-5-methylhex-5-enoate
PubChem CID155170397
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl (2S)-2-amino-5-methylhex-5-enoate
SMILESC=C(C)CC[C@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)6-7-9(12)10(13)14-11(3,4)5/h9H,1,6-7,12H2,2-5H3/t9-/m0/s1
InChIKeyZVRBDRNURQRVLK-VIFPVBQESA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-amino-5-methylhex-5-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate
CID 21119691
1-O-tert-butyl 5-O-[(2-methylpropan-2-yl)oxycarbonyl] (2S)-2-aminopentanedioate
CID 122423644
tert-butyl 2-amino-5-oxo-5-(sulfanylamino)pentanoate
CID 91125306
tert-butyl (2S)-2-amino-4-chlorobutanoate
CID 174394130
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968
tert-butyl (2R)-2,6-diaminohexanoate
CID 92978498
tert-butyl 2-amino-5-fluoropentanoate
CID 5323645
tert-butyl (2S)-2-aminoheptanoate
CID 88862421
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
tert-butyl (2S)-2-amino-5-bromopentanoate
CID 11368747

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-5-methylhex-5-enoate?
The IUPAC name of tert-butyl (2S)-2-amino-5-methylhex-5-enoate (CID 155170397) is tert-butyl (2S)-2-amino-5-methylhex-5-enoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-5-methylhex-5-enoate?
The canonical SMILES for tert-butyl (2S)-2-amino-5-methylhex-5-enoate is C=C(C)CC[C@H](N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-amino-5-methylhex-5-enoate?
The InChIKey is ZVRBDRNURQRVLK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)6-7-9(12)10(13)14-11(3,4)5/h9H,1,6-7,12H2,2-5H3/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-5-methylhex-5-enoate?
tert-butyl (2S)-2-amino-5-methylhex-5-enoate has a molecular weight of 199.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-5-methylhex-5-enoate is sourced from PubChem (CID 155170397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).