sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate

C19H34NNaO5 — CID 57349620

IUPACsodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)[C@@H](N)CCC(=O)[O-].[Na+]
InChIInChI=1S/C19H35NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)25-19(24)16(20)14-15-17(21)22;/h16H,2-15,20H2,1H3,(H,21,22);/q;+1/p-1/t16-;/m0./s1
InChIKeyMEPWGWOLTUCULL-NTISSMGPSA-M
MW379.47 g/mol
LogP-0.38
Rot. Bonds16

About sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate

sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate (PubChem CID 57349620) has the molecular formula C19H34NNaO5 and a molecular weight of 379.47 g/mol. Its IUPAC name is sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate.

Molecular Properties

Compound Namesodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate
PubChem CID57349620
Molecular FormulaC19H34NNaO5
Molecular Weight379.47 g/mol
Exact Mass379.23
IUPAC Namesodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)[C@@H](N)CCC(=O)[O-].[Na+]
InChIInChI=1S/C19H35NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)25-19(24)16(20)14-15-17(21)22;/h16H,2-15,20H2,1H3,(H,21,22);/q;+1/p-1/t16-;/m0./s1
InChIKeyMEPWGWOLTUCULL-NTISSMGPSA-M
XLogP-0.38
TPSA109.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium (4S)-4-amino-5-octadecanoyloxy-5-oxopentanoate
CID 53472006
disodium bis((4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate)
CID 140516830
sodium (4S)-4-amino-5-hexadecanoyloxy-5-oxopentanoate
CID 87091450
sodium 4-amino-5-icosanoyloxy-5-oxopentanoate
CID 175190767
disodium bis(4-amino-5-oxo-5-undecanoyloxypentanoate)
CID 175234729
magnesium bis(4-amino-5-hexadecanoyloxy-5-oxopentanoate)
CID 76519147
potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate
CID 90103272
magnesium bis((4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate)
CID 176590264
dipotassium bis((4S)-4-amino-5-hexanoyloxy-5-oxopentanoate)
CID 142746686
sodium;4-amino-5-oxo-5-tetradecanoyloxypentanoate;propane-1,2,3-triol
CID 175411211
sodium (4S)-4-amino-5-[(Z)-octadec-9-enoyl]oxy-5-oxopentanoate
CID 140782213
potassium;4-amino-5-oxo-5-tetradecanoyloxypentanoate;propane-1,2,3-triol
CID 174756989

Frequently Asked Questions

What is the IUPAC name of sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate?
The IUPAC name of sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate (CID 57349620) is sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate.
What is the SMILES notation for sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate?
The canonical SMILES for sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate is CCCCCCCCCCCCCC(=O)OC(=O)[C@@H](N)CCC(=O)[O-].[Na+].
What is the InChIKey of sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate?
The InChIKey is MEPWGWOLTUCULL-NTISSMGPSA-M. The full InChI is InChI=1S/C19H35NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)25-19(24)16(20)14-15-17(21)22;/h16H,2-15,20H2,1H3,(H,21,22);/q;+1/p-1/t16-;/m0./s1.
What are the key properties of sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate?
sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate has a molecular weight of 379.47 g/mol, XLogP of -0.38, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate is sourced from PubChem (CID 57349620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).