(1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid

C15H20N2O2 — CID 102372506

IUPAC(1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid
SMILESN[C@H]1CCCc2cc3c(cc21)[C@@](N)(C(=O)O)CCC3
InChIInChI=1S/C15H20N2O2/c16-13-5-1-3-9-7-10-4-2-6-15(17,14(18)19)12(10)8-11(9)13/h7-8,13H,1-6,16-17H2,(H,18,19)/t13-,15+/m0/s1
InChIKeySNTJKEIPFSLGOM-DZGCQCFKSA-N
MW260.34 g/mol
LogP1.60
Rot. Bonds1

About (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid

(1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid (PubChem CID 102372506) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid
PubChem CID102372506
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid
SMILESN[C@H]1CCCc2cc3c(cc21)[C@@](N)(C(=O)O)CCC3
InChIInChI=1S/C15H20N2O2/c16-13-5-1-3-9-7-10-4-2-6-15(17,14(18)19)12(10)8-11(9)13/h7-8,13H,1-6,16-17H2,(H,18,19)/t13-,15+/m0/s1
InChIKeySNTJKEIPFSLGOM-DZGCQCFKSA-N
XLogP1.60
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid with MolForge

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Related Compounds

1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911212
1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908725
(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)carbamic acid
CID 135386697
(5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 131140736
methyl (1S,8S)-1-amino-8-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylate
CID 102372502
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 21491277
1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
CID 130615296
4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
CID 82541831
1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid;hydrochloride
CID 70632149
5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;chloromethane
CID 159655491
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid?
The IUPAC name of (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid (CID 102372506) is (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid.
What is the SMILES notation for (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid?
The canonical SMILES for (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid is N[C@H]1CCCc2cc3c(cc21)[C@@](N)(C(=O)O)CCC3.
What is the InChIKey of (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid?
The InChIKey is SNTJKEIPFSLGOM-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-5-1-3-9-7-10-4-2-6-15(17,14(18)19)12(10)8-11(9)13/h7-8,13H,1-6,16-17H2,(H,18,19)/t13-,15+/m0/s1.
What are the key properties of (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid?
(1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid is sourced from PubChem (CID 102372506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).