6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid

C15H28N4O5 — CID 171621768

IUPAC6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid
SMILESCC(CCCCNC(=O)NCCNC(=O)CCCC(N)=O)C(=O)O
InChIInChI=1S/C15H28N4O5/c1-11(14(22)23)5-2-3-8-18-15(24)19-10-9-17-13(21)7-4-6-12(16)20/h11H,2-10H2,1H3,(H2,16,20)(H,17,21)(H,22,23)(H2,18,19,24)
InChIKeyQDCZKZACKOZWPO-UHFFFAOYSA-N
MW344.41 g/mol
LogP-0.05
Rot. Bonds13

About 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid

6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid (PubChem CID 171621768) has the molecular formula C15H28N4O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid.

Molecular Properties

Compound Name6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid
PubChem CID171621768
Molecular FormulaC15H28N4O5
Molecular Weight344.41 g/mol
Exact Mass344.21
IUPAC Name6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid
SMILESCC(CCCCNC(=O)NCCNC(=O)CCCC(N)=O)C(=O)O
InChIInChI=1S/C15H28N4O5/c1-11(14(22)23)5-2-3-8-18-15(24)19-10-9-17-13(21)7-4-6-12(16)20/h11H,2-10H2,1H3,(H2,16,20)(H,17,21)(H,22,23)(H2,18,19,24)
InChIKeyQDCZKZACKOZWPO-UHFFFAOYSA-N
XLogP-0.05
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid with MolForge

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Related Compounds

6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid;pentanedioic acid;urea
CID 171621767
4-[(4-amino-4-oxobutyl)carbamoylamino]-2-methylbutanoic acid
CID 80540555
2-methyl-5-(pentanoylamino)pentanoic acid
CID 104682493
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810
6-[(2-bromoacetyl)amino]-2-methylhexanoic acid
CID 118167390
tris((methyldisulfanyl)methane);(2S)-2-methyl-6-(tetradecanoylamino)hexanoic acid
CID 161457530
N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide
CID 170637005
2-amino-5-[[8-[(8-amino-8-oxooctyl)amino]-8-oxooctyl]amino]-5-oxopentanoic acid;sulfane
CID 158644391
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
2-methyl-6-[3-(3-methyldiazirin-3-yl)propanoylamino]hexanoic acid
CID 170272651
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
2-methyl-6-[4-(4-methylphenyl)butanoylamino]hexanoic acid
CID 162728509

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid?
The IUPAC name of 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid (CID 171621768) is 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid.
What is the SMILES notation for 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid?
The canonical SMILES for 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid is CC(CCCCNC(=O)NCCNC(=O)CCCC(N)=O)C(=O)O.
What is the InChIKey of 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid?
The InChIKey is QDCZKZACKOZWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O5/c1-11(14(22)23)5-2-3-8-18-15(24)19-10-9-17-13(21)7-4-6-12(16)20/h11H,2-10H2,1H3,(H2,16,20)(H,17,21)(H,22,23)(H2,18,19,24).
What are the key properties of 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid?
6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid has a molecular weight of 344.41 g/mol, XLogP of -0.05, 13 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid is sourced from PubChem (CID 171621768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).