6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid

C16H32N4O4 — CID 18232579

IUPAC6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid
SMILESCC(C)C(N)C(=O)NC(C(=O)NC(CCCCN)C(=O)O)C(C)C
InChIInChI=1S/C16H32N4O4/c1-9(2)12(18)14(21)20-13(10(3)4)15(22)19-11(16(23)24)7-5-6-8-17/h9-13H,5-8,17-18H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyAOILQMZPNLUXCM-UHFFFAOYSA-N
MW344.46 g/mol
LogP-0.19
Rot. Bonds11

About 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid

6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid (PubChem CID 18232579) has the molecular formula C16H32N4O4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid
PubChem CID18232579
Molecular FormulaC16H32N4O4
Molecular Weight344.46 g/mol
Exact Mass344.24
IUPAC Name6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid
SMILESCC(C)C(N)C(=O)NC(C(=O)NC(CCCCN)C(=O)O)C(C)C
InChIInChI=1S/C16H32N4O4/c1-9(2)12(18)14(21)20-13(10(3)4)15(22)19-11(16(23)24)7-5-6-8-17/h9-13H,5-8,17-18H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyAOILQMZPNLUXCM-UHFFFAOYSA-N
XLogP-0.19
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 5-0.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid with MolForge

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Related Compounds

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,3-diaminobutanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
CID 11950296
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
CID 122211018
(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 71511734
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 54575440
(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid
CID 145458986
5-amino-2-[[6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
CID 19941878
2-[[6-amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid
CID 22702297
(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
CID 145458981
2-[[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18749868
6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
CID 18486327
6-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid
CID 18239260
2-[[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 18237330

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid?
The IUPAC name of 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid (CID 18232579) is 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid is CC(C)C(N)C(=O)NC(C(=O)NC(CCCCN)C(=O)O)C(C)C.
What is the InChIKey of 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid?
The InChIKey is AOILQMZPNLUXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O4/c1-9(2)12(18)14(21)20-13(10(3)4)15(22)19-11(16(23)24)7-5-6-8-17/h9-13H,5-8,17-18H2,1-4H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid?
6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid has a molecular weight of 344.46 g/mol, XLogP of -0.19, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid is sourced from PubChem (CID 18232579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).