N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide

C14H22N4O4 — CID 71294768

IUPACN'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
SMILESCC[C@H](N)C(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N4O4/c1-2-10(15)14(22)17-16-11(19)6-4-3-5-9-18-12(20)7-8-13(18)21/h7-8,10H,2-6,9,15H2,1H3,(H,16,19)(H,17,22)/t10-/m0/s1
InChIKeyHRNMZKSOYXFEPA-JTQLQIEISA-N
MW310.35 g/mol
LogP-0.64
Rot. Bonds8

About N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide

N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide (PubChem CID 71294768) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
PubChem CID71294768
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC NameN'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
SMILESCC[C@H](N)C(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N4O4/c1-2-10(15)14(22)17-16-11(19)6-4-3-5-9-18-12(20)7-8-13(18)21/h7-8,10H,2-6,9,15H2,1H3,(H,16,19)(H,17,22)/t10-/m0/s1
InChIKeyHRNMZKSOYXFEPA-JTQLQIEISA-N
XLogP-0.64
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

E-Maleimidocaproic acid hydrazine hydrochloride
CID 44119987
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide
CID 4170354
N-(1,5-dihydrazinyl-1,5-dioxopentan-2-yl)-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 23557834
N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
CID 59867050
2-(2,5-Dioxopyrrol-1-yl)hexanehydrazide
CID 67128129
4-(2,5-Dioxopyrrol-1-yl)hexanehydrazide
CID 68491833
N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide
CID 70169925
6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide
CID 70790417
(2S)-2-[[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]butanamide
CID 71004095
3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide
CID 71081861
tert-butyl N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]carbamate
CID 71294466
N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 71294542

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The IUPAC name of N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide (CID 71294768) is N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide.
What is the SMILES notation for N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The canonical SMILES for N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide is CC[C@H](N)C(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The InChIKey is HRNMZKSOYXFEPA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O4/c1-2-10(15)14(22)17-16-11(19)6-4-3-5-9-18-12(20)7-8-13(18)21/h7-8,10H,2-6,9,15H2,1H3,(H,16,19)(H,17,22)/t10-/m0/s1.
What are the key properties of N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide has a molecular weight of 310.35 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide is sourced from PubChem (CID 71294768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).