(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid

C21H42N2O3 — CID 150171158

IUPAC(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
SMILESCCCCCCCCCCCCN(CCCC)[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C21H42N2O3/c1-3-5-7-8-9-10-11-12-13-14-18-23(17-6-4-2)19(21(25)26)15-16-20(22)24/h19H,3-18H2,1-2H3,(H2,22,24)(H,25,26)/t19-/m0/s1
InChIKeyFJLOXTOZLXFGEK-IBGZPJMESA-N
MW370.58 g/mol
LogP4.73
Rot. Bonds19

About (2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid (PubChem CID 150171158) has the molecular formula C21H42N2O3 and a molecular weight of 370.58 g/mol. Its IUPAC name is (2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
PubChem CID150171158
Molecular FormulaC21H42N2O3
Molecular Weight370.58 g/mol
Exact Mass370.32
IUPAC Name(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
SMILESCCCCCCCCCCCCN(CCCC)[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C21H42N2O3/c1-3-5-7-8-9-10-11-12-13-14-18-23(17-6-4-2)19(21(25)26)15-16-20(22)24/h19H,3-18H2,1-2H3,(H2,22,24)(H,25,26)/t19-/m0/s1
InChIKeyFJLOXTOZLXFGEK-IBGZPJMESA-N
XLogP4.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 175857713
CID 175857713
5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid
CID 134249161
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-[2-carboxyethyl(hexyl)amino]pentanoic acid
CID 82328380
5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
CID 177260030
(2S)-5-amino-2-[bis(dodecanoylamino)amino]-5-oxopentanoic acid
CID 135284923
(2S)-2-[dodecyl(propyl)amino]-4-hydroxybutanoic acid
CID 158745889
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
CID 175765427
CID 175765427
CID 175765431
CID 175765431
2-(dihexylamino)-3-hydroxypropanoic acid
CID 175360727

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid (CID 150171158) is (2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid is CCCCCCCCCCCCN(CCCC)[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid?
The InChIKey is FJLOXTOZLXFGEK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H42N2O3/c1-3-5-7-8-9-10-11-12-13-14-18-23(17-6-4-2)19(21(25)26)15-16-20(22)24/h19H,3-18H2,1-2H3,(H2,22,24)(H,25,26)/t19-/m0/s1.
What are the key properties of (2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid has a molecular weight of 370.58 g/mol, XLogP of 4.73, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 150171158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).