(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid

C20H40N2O3 — CID 6454263

IUPAC(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
SMILESCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyXTLFOGNEQSPWGW-SFHVURJKSA-N
MW356.55 g/mol
LogP4.39
Rot. Bonds18

About (2S)-2-amino-6-(tetradecanoylamino)hexanoic acid

(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid (PubChem CID 6454263) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is (2S)-2-amino-6-(tetradecanoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
PubChem CID6454263
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC Name(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
SMILESCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyXTLFOGNEQSPWGW-SFHVURJKSA-N
XLogP4.39
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 54.39
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

2-amino-6-[6-(hexadecanoylamino)hexanoylamino]hexanoic acid
CID 174208894
(2S)-2-amino-6-(dodecanoylamino)hexanoic acid;N-octadecylformamide
CID 87995188
24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
CID 102018934
20-[[(5S)-5-amino-5-carboxypentyl]amino]-20-oxoicosanoic acid
CID 123299935
(2S)-2-amino-6-(8-aminooctanoylamino)hexanoic acid
CID 89408700
(2R)-2-[3-[[(5S)-5-amino-5-carboxypentyl]amino]-3-oxopropyl]-4-oxohenicosanoic acid;(2R)-2-[3-[[(5S)-5-amino-5-carboxypentyl]amino]-3-oxopropyl]-4-oxononadecanoic acid;(2R)-2-[3-[[(5S)-5-amino-5-carboxypentyl]amino]-3-oxopropyl]-4-oxotricosanoic acid
CID 158626288
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
decyl (2S)-2-amino-6-(octadecanoylamino)hexanoate
CID 54276996
(2S)-2-amino-6-(2-octanoyldodecanoylamino)hexanoic acid
CID 146471914
N-[(5S)-5-amino-6-[3-[4-(butylamino)butylamino]propylamino]-6-oxohexyl]octanamide
CID 159397437
2-ethyl-18-(octadecanoylamino)octadecanoic acid
CID 87557567
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(tetradecanoylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(tetradecanoylamino)hexanoic acid (CID 6454263) is (2S)-2-amino-6-(tetradecanoylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(tetradecanoylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(tetradecanoylamino)hexanoic acid is CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(tetradecanoylamino)hexanoic acid?
The InChIKey is XTLFOGNEQSPWGW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-6-(tetradecanoylamino)hexanoic acid?
(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid has a molecular weight of 356.55 g/mol, XLogP of 4.39, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(tetradecanoylamino)hexanoic acid is sourced from PubChem (CID 6454263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).