2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide

C15H24N4O5 — CID 123991027

IUPAC2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide
SMILESCC(=O)NC(CCCCNC(=O)CCn1c(O)ccc1O)C(N)=O
InChIInChI=1S/C15H24N4O5/c1-10(20)18-11(15(16)24)4-2-3-8-17-12(21)7-9-19-13(22)5-6-14(19)23/h5-6,11,22-23H,2-4,7-9H2,1H3,(H2,16,24)(H,17,21)(H,18,20)
InChIKeyZNUVRWUITLSKOU-UHFFFAOYSA-N
MW340.38 g/mol
LogP-0.43
Rot. Bonds10

About 2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide

2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide (PubChem CID 123991027) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide.

Molecular Properties

Compound Name2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide
PubChem CID123991027
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Name2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide
SMILESCC(=O)NC(CCCCNC(=O)CCn1c(O)ccc1O)C(N)=O
InChIInChI=1S/C15H24N4O5/c1-10(20)18-11(15(16)24)4-2-3-8-17-12(21)7-9-19-13(22)5-6-14(19)23/h5-6,11,22-23H,2-4,7-9H2,1H3,(H2,16,24)(H,17,21)(H,18,20)
InChIKeyZNUVRWUITLSKOU-UHFFFAOYSA-N
XLogP-0.43
TPSA146.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide;2-acetamido-3-sulfanylpropanamide
CID 162166379
(2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]-6-[(2-iodoacetyl)amino]hexanoyl]amino]hexanamide
CID 134131007
[(5S)-5-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-amino-6-oxohexyl]carbamic acid
CID 138591141
CID 89108510
CID 89108510
N-[(5R)-5-[[(2R)-2-[[(2R)-2-acetamido-6-[(3,4,5-trihydroxybenzoyl)amino]hexanoyl]amino]-6-[(3,4,5-trihydroxybenzoyl)amino]hexanoyl]amino]-6-amino-6-oxohexyl]-3,4,5-trihydroxybenzamide
CID 58782850
6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
CID 59492094
tert-butyl N-(5-acetamido-6-amino-6-oxohexyl)carbamate
CID 87998149
(2S)-6-[[(4S)-4-acetamido-4-carboxybutanoyl]amino]-2-aminohexanoic acid
CID 167256422
2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide
CID 170449138
2-acetamido-N-[1-amino-6-[3-[3-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]-1-oxohexan-2-yl]-6-(propanoylamino)hexanamide
CID 70794476
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
cyclopent-4-ene-1,3-dione;2,6-diacetamido-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]hexanamide
CID 158153023

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide?
The IUPAC name of 2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide (CID 123991027) is 2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide.
What is the SMILES notation for 2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide?
The canonical SMILES for 2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide is CC(=O)NC(CCCCNC(=O)CCn1c(O)ccc1O)C(N)=O.
What is the InChIKey of 2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide?
The InChIKey is ZNUVRWUITLSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-10(20)18-11(15(16)24)4-2-3-8-17-12(21)7-9-19-13(22)5-6-14(19)23/h5-6,11,22-23H,2-4,7-9H2,1H3,(H2,16,24)(H,17,21)(H,18,20).
What are the key properties of 2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide?
2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide has a molecular weight of 340.38 g/mol, XLogP of -0.43, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide is sourced from PubChem (CID 123991027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).