6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid

C12H25N3O4 — CID 174159805

IUPAC6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid
SMILESCC(C)CC(NNC(CCCCN)C(=O)O)C(=O)O
InChIInChI=1S/C12H25N3O4/c1-8(2)7-10(12(18)19)15-14-9(11(16)17)5-3-4-6-13/h8-10,14-15H,3-7,13H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBGKBGWDTEHGPHO-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.16
Rot. Bonds11

About 6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid

6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid (PubChem CID 174159805) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid
PubChem CID174159805
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Name6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid
SMILESCC(C)CC(NNC(CCCCN)C(=O)O)C(=O)O
InChIInChI=1S/C12H25N3O4/c1-8(2)7-10(12(18)19)15-14-9(11(16)17)5-3-4-6-13/h8-10,14-15H,3-7,13H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBGKBGWDTEHGPHO-UHFFFAOYSA-N
XLogP0.16
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.16
H-Bond Donors ≤ 55
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'}

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Related Compounds

(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-aminohexanoic acid
CID 134687092
(2S)-2-[2-[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]hydrazinyl]-4-methylpentanoic acid
CID 174652219
2-(2,6-diaminohexanoylamino)-4-methylpentanoic acid
CID 4682588
6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 18306476
2-[[6-amino-2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
CID 18236775
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoic acid
CID 102418288
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(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)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 44817101
acetic acid;(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoic acid
CID 56845970
2-[[6-amino-2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]hexanoyl]amino]butanedioic acid
CID 18236768
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid?
The IUPAC name of 6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid (CID 174159805) is 6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid.
What is the SMILES notation for 6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid?
The canonical SMILES for 6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid is CC(C)CC(NNC(CCCCN)C(=O)O)C(=O)O.
What is the InChIKey of 6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid?
The InChIKey is BGKBGWDTEHGPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-8(2)7-10(12(18)19)15-14-9(11(16)17)5-3-4-6-13/h8-10,14-15H,3-7,13H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid?
6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid has a molecular weight of 275.35 g/mol, XLogP of 0.16, 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-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid is sourced from PubChem (CID 174159805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).