5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid

C19H36N2O4 — CID 18318649

IUPAC5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
SMILESCCCCCCCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C19H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)21-16(19(24)25)14-15-17(20)22/h16H,2-15H2,1H3,(H2,20,22)(H,21,23)(H,24,25)
InChIKeyGQCSFCKGCIEEJN-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.52
Rot. Bonds17

About 5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid

5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid (PubChem CID 18318649) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
PubChem CID18318649
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Name5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
SMILESCCCCCCCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C19H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)21-16(19(24)25)14-15-17(20)22/h16H,2-15H2,1H3,(H2,20,22)(H,21,23)(H,24,25)
InChIKeyGQCSFCKGCIEEJN-UHFFFAOYSA-N
XLogP3.52
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
CID 175770301
CID 175770301
2-(dodecanoylamino)pentanedioic acid;bis(hexanamide)
CID 175413316
(2S)-5-amino-2-[[(Z)-icos-11-enoyl]amino]-5-oxopentanoic acid
CID 171116799
5-amino-5-oxo-2-[[(E)-tetracos-15-enoyl]amino]pentanoic acid
CID 156963106
5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid
CID 123328300
(2S)-5-amino-2-[[(Z)-heptadec-9-enoyl]amino]-5-oxopentanoic acid
CID 171116793
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
5-[[5-[[5-[[4-[[5-[[5-[[4-[[5-[[5-[[4-[[5-[[5-[[4-[[5-[(5-amino-1-methoxy-1,5-dioxopentan-2-yl)amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 177284964
5-[[4-[[5-[[4-[[4-[[5-[[4-[[4-[[5-[[4-[[4-[[5-[[4-[[4-[(5-amino-1-methoxy-1,5-dioxopentan-2-yl)amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 177284939

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid (CID 18318649) is 5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid is CCCCCCCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid?
The InChIKey is GQCSFCKGCIEEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)21-16(19(24)25)14-15-17(20)22/h16H,2-15H2,1H3,(H2,20,22)(H,21,23)(H,24,25).
What are the key properties of 5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid?
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid has a molecular weight of 356.51 g/mol, XLogP of 3.52, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid is sourced from PubChem (CID 18318649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).