5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid

C24H48N2O4 — CID 134249161

IUPAC5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid
SMILESCCCCCCCCCCCCCCCCCCCN(O)C(CCC(N)=O)C(=O)O
InChIInChI=1S/C24H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(30)22(24(28)29)19-20-23(25)27/h22,30H,2-21H2,1H3,(H2,25,27)(H,28,29)
InChIKeyGDAHOYVTRLFVDE-UHFFFAOYSA-N
MW428.66 g/mol
LogP6.05
Rot. Bonds23

About 5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid

5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid (PubChem CID 134249161) has the molecular formula C24H48N2O4 and a molecular weight of 428.66 g/mol. Its IUPAC name is 5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid
PubChem CID134249161
Molecular FormulaC24H48N2O4
Molecular Weight428.66 g/mol
Exact Mass428.36
IUPAC Name5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid
SMILESCCCCCCCCCCCCCCCCCCCN(O)C(CCC(N)=O)C(=O)O
InChIInChI=1S/C24H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(30)22(24(28)29)19-20-23(25)27/h22,30H,2-21H2,1H3,(H2,25,27)(H,28,29)
InChIKeyGDAHOYVTRLFVDE-UHFFFAOYSA-N
XLogP6.05
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
CID 175857713
CID 175857713
CID 175765431
CID 175765431
CID 175765427
CID 175765427
(2S)-5-amino-2-[bis(dodecanoylamino)amino]-5-oxopentanoic acid
CID 135284923
(2S)-6-amino-2-[[(2S)-6-amino-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]-2-dodecylhydrazinyl]hexanoyl]amino]hexanoic acid
CID 175360444
2-(3-amino-3-oxopropyl)heptadecanoic acid
CID 174561559
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid
CID 175602366
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-(didecylamino)pentanoic acid
CID 101314079

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid (CID 134249161) is 5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid is CCCCCCCCCCCCCCCCCCCN(O)C(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid?
The InChIKey is GDAHOYVTRLFVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(30)22(24(28)29)19-20-23(25)27/h22,30H,2-21H2,1H3,(H2,25,27)(H,28,29).
What are the key properties of 5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid?
5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid has a molecular weight of 428.66 g/mol, XLogP of 6.05, 23 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 134249161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).