(4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid

C20H36N2O4 — CID 175331995

IUPAC(4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid
SMILESCCCCN(CCC=C(C)C(=O)OC[C@H](N)C=C(C)C(=O)O)CCCC
InChIInChI=1S/C20H36N2O4/c1-5-7-11-22(12-8-6-2)13-9-10-16(3)20(25)26-15-18(21)14-17(4)19(23)24/h10,14,18H,5-9,11-13,15,21H2,1-4H3,(H,23,24)/t18-/m1/s1
InChIKeyCTLTYGFSWITEPI-GOSISDBHSA-N
MW368.52 g/mol
LogP3.13
Rot. Bonds14

About (4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid

(4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid (PubChem CID 175331995) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is (4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid
PubChem CID175331995
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name(4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid
SMILESCCCCN(CCC=C(C)C(=O)OC[C@H](N)C=C(C)C(=O)O)CCCC
InChIInChI=1S/C20H36N2O4/c1-5-7-11-22(12-8-6-2)13-9-10-16(3)20(25)26-15-18(21)14-17(4)19(23)24/h10,14,18H,5-9,11-13,15,21H2,1-4H3,(H,23,24)/t18-/m1/s1
InChIKeyCTLTYGFSWITEPI-GOSISDBHSA-N
XLogP3.13
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate
CID 175332006
4-[3-(dibutylamino)propylidene]-2-methylpent-2-enedioic acid
CID 57099992
ethyl 5-(diethylamino)-2-methylpent-2-enoate
CID 175173759
2-hydroxypropyl 2-methylpentadec-2-enoate
CID 57297679
4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid
CID 174831331
4-[butyl(ethyl)amino]-2-methylbut-2-enoic acid
CID 77074839
2,2,2-trichloroethyl 2-methyloct-2-enoate
CID 88827167
propyl (E)-2-methylhept-2-enoate
CID 13122849
(2E,5E)-4-butyl-2,6-dimethylhepta-2,5-dienedioic acid
CID 87997943
CID 177343190
CID 177343190
heptyl 2-methylhexadec-2-enoate
CID 174820936
dodecyl 2-methylhenicos-2-enoate
CID 57172953

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid?
The IUPAC name of (4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid (CID 175331995) is (4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid.
What is the SMILES notation for (4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid?
The canonical SMILES for (4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid is CCCCN(CCC=C(C)C(=O)OC[C@H](N)C=C(C)C(=O)O)CCCC.
What is the InChIKey of (4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid?
The InChIKey is CTLTYGFSWITEPI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-5-7-11-22(12-8-6-2)13-9-10-16(3)20(25)26-15-18(21)14-17(4)19(23)24/h10,14,18H,5-9,11-13,15,21H2,1-4H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid?
(4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid has a molecular weight of 368.52 g/mol, XLogP of 3.13, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-[5-(dibutylamino)-2-methylpent-2-enoyl]oxy-2-methylpent-2-enoic acid is sourced from PubChem (CID 175331995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).