14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid

C19H35NO5 — CID 145026904

IUPAC14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid
SMILESO=CC(CCC(=O)O)NCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H35NO5/c21-16-17(13-14-19(24)25)20-15-11-9-7-5-3-1-2-4-6-8-10-12-18(22)23/h16-17,20H,1-15H2,(H,22,23)(H,24,25)
InChIKeyVHAHIIWWISWNPQ-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.77
Rot. Bonds19

About 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid

14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid (PubChem CID 145026904) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid.

Molecular Properties

Compound Name14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid
PubChem CID145026904
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid
SMILESO=CC(CCC(=O)O)NCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H35NO5/c21-16-17(13-14-19(24)25)20-15-11-9-7-5-3-1-2-4-6-8-10-12-18(22)23/h16-17,20H,1-15H2,(H,22,23)(H,24,25)
InChIKeyVHAHIIWWISWNPQ-UHFFFAOYSA-N
XLogP3.77
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid 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

(4S)-4-(carboxymethylamino)-5-oxopentanoic acid
CID 177256795
(2S)-2-(15-carboxypentadecylamino)pentanedioic acid
CID 90970159
(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid
CID 22885522
18-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-18-oxooctadecanoic acid
CID 88901172
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
18-amino-17-(15-carboxypentadecylamino)nonadecanoic acid
CID 54385697
9-formyloctadecanedioic acid
CID 118354608
(4S)-4-(2-ethylhexylamino)-5-oxopentanoic acid
CID 90948928
(4S)-4-acetamido-5-oxopentanoic acid
CID 57465512
7-methyl-N-(7-methyloctyl)octan-1-amine;7-methyloctanoic acid
CID 172838661
(4S)-4-(methoxyamino)-5-oxopentanoic acid
CID 118398676

Frequently Asked Questions

What is the IUPAC name of 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid?
The IUPAC name of 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid (CID 145026904) is 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid.
What is the SMILES notation for 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid?
The canonical SMILES for 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid is O=CC(CCC(=O)O)NCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid?
The InChIKey is VHAHIIWWISWNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5/c21-16-17(13-14-19(24)25)20-15-11-9-7-5-3-1-2-4-6-8-10-12-18(22)23/h16-17,20H,1-15H2,(H,22,23)(H,24,25).
What are the key properties of 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid?
14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid has a molecular weight of 357.49 g/mol, XLogP of 3.77, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid is sourced from PubChem (CID 145026904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).