(2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid

C12H16N2O6 — CID 107835515

IUPAC(2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid
SMILESNCc1ccc(C(=O)N[C@H](CCCC(=O)O)C(=O)O)o1
InChIInChI=1S/C12H16N2O6/c13-6-7-4-5-9(20-7)11(17)14-8(12(18)19)2-1-3-10(15)16/h4-5,8H,1-3,6,13H2,(H,14,17)(H,15,16)(H,18,19)/t8-/m1/s1
InChIKeyCJEIHFHXSCSEJA-MRVPVSSYSA-N
MW284.27 g/mol
LogP0.18
Rot. Bonds8

About (2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid

(2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid (PubChem CID 107835515) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid
PubChem CID107835515
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name(2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid
SMILESNCc1ccc(C(=O)N[C@H](CCCC(=O)O)C(=O)O)o1
InChIInChI=1S/C12H16N2O6/c13-6-7-4-5-9(20-7)11(17)14-8(12(18)19)2-1-3-10(15)16/h4-5,8H,1-3,6,13H2,(H,14,17)(H,15,16)(H,18,19)/t8-/m1/s1
InChIKeyCJEIHFHXSCSEJA-MRVPVSSYSA-N
XLogP0.18
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[4-(aminomethyl)benzoyl]amino]hexanedioic acid
CID 107835693
2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanedioic acid
CID 60830807
(2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid
CID 107829842
(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
CID 107831637
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid
CID 107835532
6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
CID 65285809
(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid
CID 40814315
(2R)-2-[[5-[2-(2,4-diaminopyrrolo[3,2-d]pyrimidin-5-yl)ethyl]furan-2-carbonyl]amino]pentanedioic acid
CID 67626869
5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
CID 106230583
2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-4-methylsulfonylbutanoic acid
CID 43358779
5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide
CID 106160982
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid (CID 107835515) is (2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid is NCc1ccc(C(=O)N[C@H](CCCC(=O)O)C(=O)O)o1.
What is the InChIKey of (2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid?
The InChIKey is CJEIHFHXSCSEJA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O6/c13-6-7-4-5-9(20-7)11(17)14-8(12(18)19)2-1-3-10(15)16/h4-5,8H,1-3,6,13H2,(H,14,17)(H,15,16)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid?
(2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid has a molecular weight of 284.27 g/mol, XLogP of 0.18, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid is sourced from PubChem (CID 107835515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).