4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid

C24H38N4O6 — CID 2755415

IUPAC4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid
SMILESCC(NC(=O)CCCCNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CCC(=O)O)C(N)=O
InChIInChI=1S/C24H38N4O6/c1-14(22(33)28-18(21(25)32)5-6-20(30)31)27-19(29)4-2-3-7-26-23(34)24-11-15-8-16(12-24)10-17(9-15)13-24/h14-18H,2-13H2,1H3,(H2,25,32)(H,26,34)(H,27,29)(H,28,33)(H,30,31)
InChIKeyMAXISSRPUJZKHT-UHFFFAOYSA-N
MW478.59 g/mol
LogP0.83
Rot. Bonds13

About 4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid

4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid (PubChem CID 2755415) has the molecular formula C24H38N4O6 and a molecular weight of 478.59 g/mol. Its IUPAC name is 4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid.

Molecular Properties

Compound Name4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid
PubChem CID2755415
Molecular FormulaC24H38N4O6
Molecular Weight478.59 g/mol
Exact Mass478.28
IUPAC Name4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid
SMILESCC(NC(=O)CCCCNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CCC(=O)O)C(N)=O
InChIInChI=1S/C24H38N4O6/c1-14(22(33)28-18(21(25)32)5-6-20(30)31)27-19(29)4-2-3-7-26-23(34)24-11-15-8-16(12-24)10-17(9-15)13-24/h14-18H,2-13H2,1H3,(H2,25,32)(H,26,34)(H,27,29)(H,28,33)(H,30,31)
InChIKeyMAXISSRPUJZKHT-UHFFFAOYSA-N
XLogP0.83
TPSA167.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 50.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-5-amino-4-[[(2S)-2-(hexanoylamino)propanoyl]amino]-5-oxopentanoic acid
CID 101061468
(4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid
CID 18647841
benzyl 2-[[(2S)-2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoyl]amino]-4-diethoxyphosphorylbutanoate
CID 10974363
7-(adamantane-1-carbonylamino)heptanoic acid
CID 71700197
(4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxoundecanoylamino)propanoyl]amino]pentanoic acid
CID 10453547
5-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]pentanoic acid
CID 119234600
4-acetamido-5-[[5-[(2-acetamido-4-carboxybutanoyl)amino]-6-[[6-[[1-[(1-amino-1-oxoheptan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-[2,6-bis[(2-acetamido-4-carboxybutanoyl)amino]hexanoylamino]-6-oxohexyl]amino]-6-oxohexyl]amino]-5-oxopentanoic acid
CID 177097617
(4R)-5-methoxy-4-[[(2S)-2-(octadecanoylamino)propanoyl]amino]-5-oxopentanoic acid
CID 14210835
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide
CID 173333706
5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide
CID 134322834
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
2-[[(2S)-2-[5-(dithiolan-3-yl)pentanoylamino]propanoyl]amino]pentanedioic acid
CID 130277525

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid?
The IUPAC name of 4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid (CID 2755415) is 4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid.
What is the SMILES notation for 4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid?
The canonical SMILES for 4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid is CC(NC(=O)CCCCNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CCC(=O)O)C(N)=O.
What is the InChIKey of 4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid?
The InChIKey is MAXISSRPUJZKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O6/c1-14(22(33)28-18(21(25)32)5-6-20(30)31)27-19(29)4-2-3-7-26-23(34)24-11-15-8-16(12-24)10-17(9-15)13-24/h14-18H,2-13H2,1H3,(H2,25,32)(H,26,34)(H,27,29)(H,28,33)(H,30,31).
What are the key properties of 4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid?
4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid has a molecular weight of 478.59 g/mol, XLogP of 0.83, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid is sourced from PubChem (CID 2755415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).