propyl (Z)-3-amino-2-propylpent-2-enoate

C11H21NO2 — CID 140504293

IUPACpropyl (Z)-3-amino-2-propylpent-2-enoate
SMILESCCCOC(=O)/C(CCC)=C(\N)CC
InChIInChI=1S/C11H21NO2/c1-4-7-9(10(12)6-3)11(13)14-8-5-2/h4-8,12H2,1-3H3/b10-9-
InChIKeyLRCJFROCMZQTBZ-KTKRTIGZSA-N
MW199.29 g/mol
LogP2.36
Rot. Bonds6

About propyl (Z)-3-amino-2-propylpent-2-enoate

propyl (Z)-3-amino-2-propylpent-2-enoate (PubChem CID 140504293) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propyl (Z)-3-amino-2-propylpent-2-enoate.

Molecular Properties

Compound Namepropyl (Z)-3-amino-2-propylpent-2-enoate
PubChem CID140504293
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropyl (Z)-3-amino-2-propylpent-2-enoate
SMILESCCCOC(=O)/C(CCC)=C(\N)CC
InChIInChI=1S/C11H21NO2/c1-4-7-9(10(12)6-3)11(13)14-8-5-2/h4-8,12H2,1-3H3/b10-9-
InChIKeyLRCJFROCMZQTBZ-KTKRTIGZSA-N
XLogP2.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze propyl (Z)-3-amino-2-propylpent-2-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

dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate
CID 88549132
dibutyl 2,3-dipropylbut-2-enedioate
CID 123631686
dipropyl 2-octyl-3-pentylbut-2-enedioate
CID 123689942
dipropyl (Z)-2-decyl-3-octylbut-2-enedioate
CID 88549796
dipropyl 2-hexyl-3-pentylbut-2-enedioate
CID 123880328
diethyl 2-ethyl-3-propylbut-2-enedioate
CID 123725438
dipropyl 2,3-bis(2-methylpropyl)but-2-enedioate
CID 123952538
dioctyl (Z)-2-hexyl-3-propylbut-2-enedioate
CID 88548872
1-O-ethyl 2-O-propyl oxalate
CID 6420312
methyl 3-amino-2-ethylhex-2-enoate
CID 174974827
pentyl 2-ethyl-3-methylhex-2-enoate
CID 175495326
methane;propyl butanoate
CID 157187060

Frequently Asked Questions

What is the IUPAC name of propyl (Z)-3-amino-2-propylpent-2-enoate?
The IUPAC name of propyl (Z)-3-amino-2-propylpent-2-enoate (CID 140504293) is propyl (Z)-3-amino-2-propylpent-2-enoate.
What is the SMILES notation for propyl (Z)-3-amino-2-propylpent-2-enoate?
The canonical SMILES for propyl (Z)-3-amino-2-propylpent-2-enoate is CCCOC(=O)/C(CCC)=C(\N)CC.
What is the InChIKey of propyl (Z)-3-amino-2-propylpent-2-enoate?
The InChIKey is LRCJFROCMZQTBZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-7-9(10(12)6-3)11(13)14-8-5-2/h4-8,12H2,1-3H3/b10-9-.
What are the key properties of propyl (Z)-3-amino-2-propylpent-2-enoate?
propyl (Z)-3-amino-2-propylpent-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (Z)-3-amino-2-propylpent-2-enoate is sourced from PubChem (CID 140504293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).