(2S)-4,6-diamino-2-(butylamino)hexanoic acid

C10H23N3O2 — CID 87377046

IUPAC(2S)-4,6-diamino-2-(butylamino)hexanoic acid
SMILESCCCCN[C@@H](CC(N)CCN)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-2-3-6-13-9(10(14)15)7-8(12)4-5-11/h8-9,13H,2-7,11-12H2,1H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyVUCDFEKVUVNSTP-GKAPJAKFSA-N
MW217.31 g/mol
LogP-0.10
Rot. Bonds9

About (2S)-4,6-diamino-2-(butylamino)hexanoic acid

(2S)-4,6-diamino-2-(butylamino)hexanoic acid (PubChem CID 87377046) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is (2S)-4,6-diamino-2-(butylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-4,6-diamino-2-(butylamino)hexanoic acid
PubChem CID87377046
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name(2S)-4,6-diamino-2-(butylamino)hexanoic acid
SMILESCCCCN[C@@H](CC(N)CCN)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-2-3-6-13-9(10(14)15)7-8(12)4-5-11/h8-9,13H,2-7,11-12H2,1H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyVUCDFEKVUVNSTP-GKAPJAKFSA-N
XLogP-0.10
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
(2S)-2-(docosylamino)-4-methylpentanoic acid
CID 102091088
2-(dodecylamino)hexanoic acid
CID 139637216
2-(pentylamino)octanoic acid
CID 129188286
(2R)-3-[[2-carboxy-2-(pentylamino)ethyl]disulfanyl]-2-(pentylamino)propanoic acid
CID 87470743
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
(2S)-4-amino-4-oxo-2-(pentylamino)butanoic acid
CID 87646492
(2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid
CID 87447047
3-amino-2-(butylsulfamoylamino)propanoic acid
CID 57183749
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228

Frequently Asked Questions

What is the IUPAC name of (2S)-4,6-diamino-2-(butylamino)hexanoic acid?
The IUPAC name of (2S)-4,6-diamino-2-(butylamino)hexanoic acid (CID 87377046) is (2S)-4,6-diamino-2-(butylamino)hexanoic acid.
What is the SMILES notation for (2S)-4,6-diamino-2-(butylamino)hexanoic acid?
The canonical SMILES for (2S)-4,6-diamino-2-(butylamino)hexanoic acid is CCCCN[C@@H](CC(N)CCN)C(=O)O.
What is the InChIKey of (2S)-4,6-diamino-2-(butylamino)hexanoic acid?
The InChIKey is VUCDFEKVUVNSTP-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-2-3-6-13-9(10(14)15)7-8(12)4-5-11/h8-9,13H,2-7,11-12H2,1H3,(H,14,15)/t8?,9-/m0/s1.
What are the key properties of (2S)-4,6-diamino-2-(butylamino)hexanoic acid?
(2S)-4,6-diamino-2-(butylamino)hexanoic acid has a molecular weight of 217.31 g/mol, XLogP of -0.10, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,6-diamino-2-(butylamino)hexanoic acid is sourced from PubChem (CID 87377046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).