tert-butyl 2-aminopent-4-enoate;hydrochloride

C9H18ClNO2 — CID 139035813

IUPACtert-butyl 2-aminopent-4-enoate;hydrochloride
SMILESC=CCC(N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-5-6-7(10)8(11)12-9(2,3)4;/h5,7H,1,6,10H2,2-4H3;1H
InChIKeyRWPGECANDMGFBK-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl 2-aminopent-4-enoate;hydrochloride

tert-butyl 2-aminopent-4-enoate;hydrochloride (PubChem CID 139035813) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is tert-butyl 2-aminopent-4-enoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-aminopent-4-enoate;hydrochloride
PubChem CID139035813
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Nametert-butyl 2-aminopent-4-enoate;hydrochloride
SMILESC=CCC(N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-5-6-7(10)8(11)12-9(2,3)4;/h5,7H,1,6,10H2,2-4H3;1H
InChIKeyRWPGECANDMGFBK-UHFFFAOYSA-N
XLogP1.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.65
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

3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 53444964
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 56923702
2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pent-4-enoic acid
CID 87779163
methyl 2-aminopent-4-enoate
CID 10877146
tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
CID 171363962
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
1-[(2-methylpropan-2-yl)oxy]-1-oxopent-4-ene-2-sulfonic acid
CID 87208641
tert-butyl 2-amino-3-(2-hydroxyethyl)hex-5-enoate
CID 87732561
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl 2,4-diaminopentanoate;hydrochloride
CID 73010870
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)hex-5-enoic acid
CID 20658002

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-aminopent-4-enoate;hydrochloride?
The IUPAC name of tert-butyl 2-aminopent-4-enoate;hydrochloride (CID 139035813) is tert-butyl 2-aminopent-4-enoate;hydrochloride.
What is the SMILES notation for tert-butyl 2-aminopent-4-enoate;hydrochloride?
The canonical SMILES for tert-butyl 2-aminopent-4-enoate;hydrochloride is C=CCC(N)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl 2-aminopent-4-enoate;hydrochloride?
The InChIKey is RWPGECANDMGFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-5-6-7(10)8(11)12-9(2,3)4;/h5,7H,1,6,10H2,2-4H3;1H.
What are the key properties of tert-butyl 2-aminopent-4-enoate;hydrochloride?
tert-butyl 2-aminopent-4-enoate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-aminopent-4-enoate;hydrochloride is sourced from PubChem (CID 139035813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).