[1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid

C10H18N4O6 — CID 138586594

IUPAC[1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid
SMILESCC(=O)NNC(=O)C(CCCCNC(=O)O)NC(=O)O
InChIInChI=1S/C10H18N4O6/c1-6(15)13-14-8(16)7(12-10(19)20)4-2-3-5-11-9(17)18/h7,11-12H,2-5H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H,19,20)
InChIKeyOFQVWYDKKIEWGQ-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.77
Rot. Bonds7

About [1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid

[1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid (PubChem CID 138586594) has the molecular formula C10H18N4O6 and a molecular weight of 290.28 g/mol. Its IUPAC name is [1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid
PubChem CID138586594
Molecular FormulaC10H18N4O6
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name[1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid
SMILESCC(=O)NNC(=O)C(CCCCNC(=O)O)NC(=O)O
InChIInChI=1S/C10H18N4O6/c1-6(15)13-14-8(16)7(12-10(19)20)4-2-3-5-11-9(17)18/h7,11-12H,2-5H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H,19,20)
InChIKeyOFQVWYDKKIEWGQ-UHFFFAOYSA-N
XLogP-0.77
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(carboxyamino)hexanoic acid
CID 23574348
[6-(carboxyamino)-1-[6-(dodecanoylamino)hexylamino]-1-oxohexan-2-yl]carbamic acid
CID 174242727
[(2S)-1-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-[3-[2-[2-[3-[[(2S)-2,6-bis(carboxyamino)hexanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid
CID 89264397
[4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid
CID 138591623
(2R)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]propanoic acid
CID 5462243
[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid
CID 138591868
[(5S)-5-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-amino-6-oxohexyl]carbamic acid
CID 138591141
[(2S)-6-(carboxyamino)-1-(dithian-4-ylamino)-1-oxohexan-2-yl]carbamic acid
CID 154942773
10-(carboxyamino)decan-3-ylcarbamic acid
CID 175071012
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
[5-acetamido-6-(4-nitroanilino)-6-oxohexyl]carbamic acid
CID 154945026
2-acetamido-6-(carbamoylamino)-N-methylhexanamide
CID 177168522

Frequently Asked Questions

What is the IUPAC name of [1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid?
The IUPAC name of [1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid (CID 138586594) is [1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid.
What is the SMILES notation for [1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid?
The canonical SMILES for [1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid is CC(=O)NNC(=O)C(CCCCNC(=O)O)NC(=O)O.
What is the InChIKey of [1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid?
The InChIKey is OFQVWYDKKIEWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O6/c1-6(15)13-14-8(16)7(12-10(19)20)4-2-3-5-11-9(17)18/h7,11-12H,2-5H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H,19,20).
What are the key properties of [1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid?
[1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid has a molecular weight of 290.28 g/mol, XLogP of -0.77, 7 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid is sourced from PubChem (CID 138586594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).