(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid

C19H35NO4 — CID 22885522

IUPAC(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@H](C=O)CCC(=O)O
InChIInChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)20-17(16-21)14-15-19(23)24/h16-17H,2-15H2,1H3,(H,20,22)(H,23,24)/t17-/m0/s1
InChIKeySGLHBBYIDDUILL-KRWDZBQOSA-N
MW341.49 g/mol
LogP4.24
Rot. Bonds17

About (4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid

(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid (PubChem CID 22885522) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is (4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid.

Molecular Properties

Compound Name(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid
PubChem CID22885522
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@H](C=O)CCC(=O)O
InChIInChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)20-17(16-21)14-15-19(23)24/h16-17H,2-15H2,1H3,(H,20,22)(H,23,24)/t17-/m0/s1
InChIKeySGLHBBYIDDUILL-KRWDZBQOSA-N
XLogP4.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-oxohexan-2-yl)decanamide
CID 57129531
N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine
CID 145435395
18-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-18-oxooctadecanoic acid
CID 88901172
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid
CID 122462104
potassium (2R)-2-(dodecanoylamino)pentanedioic acid
CID 10270407
azane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173170599
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173075186
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145

Frequently Asked Questions

What is the IUPAC name of (4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid?
The IUPAC name of (4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid (CID 22885522) is (4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid.
What is the SMILES notation for (4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid?
The canonical SMILES for (4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid is CCCCCCCCCCCCCC(=O)N[C@H](C=O)CCC(=O)O.
What is the InChIKey of (4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid?
The InChIKey is SGLHBBYIDDUILL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)20-17(16-21)14-15-19(23)24/h16-17H,2-15H2,1H3,(H,20,22)(H,23,24)/t17-/m0/s1.
What are the key properties of (4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid?
(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid has a molecular weight of 341.49 g/mol, XLogP of 4.24, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid is sourced from PubChem (CID 22885522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).