CID 58262384

C19H34N4O6 — CID 58262384

IUPAC—
SMILES[CH]N([CH])CCN(CCN(CC(=O)O)CC(=O)O)C(CCCCNC(C)C)C(=O)O
InChIInChI=1S/C19H34N4O6/c1-15(2)20-8-6-5-7-16(19(28)29)23(11-9-21(3)4)12-10-22(13-17(24)25)14-18(26)27/h3-4,15-16,20H,5-14H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyUPLLDWKHAPKHCH-UHFFFAOYSA-N
MW414.50 g/mol
LogP0.02
Rot. Bonds18

About CID 58262384

CID 58262384 (PubChem CID 58262384) has the molecular formula C19H34N4O6 and a molecular weight of 414.50 g/mol.

Molecular Properties

Compound NameCID 58262384
PubChem CID58262384
Molecular FormulaC19H34N4O6
Molecular Weight414.50 g/mol
Exact Mass414.25
IUPAC Name—
SMILES[CH]N([CH])CCN(CCN(CC(=O)O)CC(=O)O)C(CCCCNC(C)C)C(=O)O
InChIInChI=1S/C19H34N4O6/c1-15(2)20-8-6-5-7-16(19(28)29)23(11-9-21(3)4)12-10-22(13-17(24)25)14-18(26)27/h3-4,15-16,20H,5-14H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyUPLLDWKHAPKHCH-UHFFFAOYSA-N
XLogP0.02
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-amino-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]hexanoic acid
CID 90249102
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-5-[[(5S)-5-[[4-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-carboxybutanoyl]amino]-6-[[(5R)-5-[[(2S)-2-[[4-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-carboxybutanoyl]amino]-6-[[4-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(hydroxymethyl)amino]ethyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]hexyl]amino]-6-oxohexyl]amino]-5-oxopentanoic acid
CID 59981282
5-[[(5S)-5-amino-6-[[3-[[(2S)-1-(aminomethylamino)-6-[[4-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-carboxybutanoyl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]amino]-6-oxohexyl]amino]-2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-5-oxopentanoic acid
CID 159711018
5-[[(5S)-6-[[(5R)-6-(aminomethylamino)-5-[[(2S)-2-[[4-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-carboxybutanoyl]amino]-6-[[4-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(hydroxymethyl)amino]ethyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-5-[[4-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-carboxybutanoyl]amino]-6-oxohexyl]amino]-2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-5-oxopentanoic acid
CID 59981270
CID 58262345
CID 58262345
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid
CID 21458914
2-[bis(carboxymethyl)amino]-6-[[6-[[5-[bis(carboxymethyl)amino]-5-carboxypentyl]amino]-6-oxohexanoyl]amino]hexanoic acid
CID 102163683
2-[bis(carboxymethyl)amino]-6-[(2-hydroxyacetyl)amino]hexanoic acid
CID 176827256
2-[2-[2-[1-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
CID 19033802
CID 174027742
CID 174027742
(2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid
CID 58100811
ethane;2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138020

Frequently Asked Questions

What is the IUPAC name of CID 58262384?
The IUPAC name of CID 58262384 (CID 58262384) is not available.
What is the SMILES notation for CID 58262384?
The canonical SMILES for CID 58262384 is [CH]N([CH])CCN(CCN(CC(=O)O)CC(=O)O)C(CCCCNC(C)C)C(=O)O.
What is the InChIKey of CID 58262384?
The InChIKey is UPLLDWKHAPKHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O6/c1-15(2)20-8-6-5-7-16(19(28)29)23(11-9-21(3)4)12-10-22(13-17(24)25)14-18(26)27/h3-4,15-16,20H,5-14H2,1-2H3,(H,24,25)(H,26,27)(H,28,29).
What are the key properties of CID 58262384?
CID 58262384 has a molecular weight of 414.50 g/mol, XLogP of 0.02, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58262384 is sourced from PubChem (CID 58262384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).