(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid

C12H28N4O4 — CID 87126167

IUPAC(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
SMILESNCCCC(N)CC(=O)O.NCCC[C@@H](N)CC(=O)O
InChIInChI=1S/2C6H14N2O2/c2*7-3-1-2-5(8)4-6(9)10/h2*5H,1-4,7-8H2,(H,9,10)/t5-;/m1./s1
InChIKeyRVCGLCXETYWGNN-NUBCRITNSA-N
MW292.38 g/mol
LogP-0.95
Rot. Bonds10

About (3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid

(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid (PubChem CID 87126167) has the molecular formula C12H28N4O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid.

Molecular Properties

Compound Name(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
PubChem CID87126167
Molecular FormulaC12H28N4O4
Molecular Weight292.38 g/mol
Exact Mass292.21
IUPAC Name(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
SMILESNCCCC(N)CC(=O)O.NCCC[C@@H](N)CC(=O)O
InChIInChI=1S/2C6H14N2O2/c2*7-3-1-2-5(8)4-6(9)10/h2*5H,1-4,7-8H2,(H,9,10)/t5-;/m1./s1
InChIKeyRVCGLCXETYWGNN-NUBCRITNSA-N
XLogP-0.95
TPSA178.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

3,7-diaminoheptanoic acid
CID 4695301
(3R)-3,7-diaminoheptanoic acid;dihydrochloride
CID 121234002
azane;3,5-diaminopentanoic acid
CID 173202896
3-aminodocosanedioic acid
CID 57269564
3-amino-12-hydroxydodecanoic acid
CID 146253643
azane;3,5-diaminopentanoic acid;iron;hydrate
CID 173139840
3-aminononanoic acid
CID 2832746
3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium
CID 175333874
(3S)-3,7-diaminoheptanamide
CID 165481888
sodium;3-aminohenicosanoic acid;hydride
CID 175144455
4,9-diaminononanoic acid
CID 88791042
2,7,10-triaminodecanoic acid
CID 141070703

Frequently Asked Questions

What is the IUPAC name of (3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid?
The IUPAC name of (3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid (CID 87126167) is (3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid.
What is the SMILES notation for (3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid?
The canonical SMILES for (3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid is NCCCC(N)CC(=O)O.NCCC[C@@H](N)CC(=O)O.
What is the InChIKey of (3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid?
The InChIKey is RVCGLCXETYWGNN-NUBCRITNSA-N. The full InChI is InChI=1S/2C6H14N2O2/c2*7-3-1-2-5(8)4-6(9)10/h2*5H,1-4,7-8H2,(H,9,10)/t5-;/m1./s1.
What are the key properties of (3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid?
(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid has a molecular weight of 292.38 g/mol, XLogP of -0.95, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid is sourced from PubChem (CID 87126167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).