(1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid

C10H16N2O7 — CID 87435281

IUPAC(1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid
SMILESN[C@H](CC(C(=O)O)C(=O)[C@H](N)CCC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O7/c11-5(1-2-7(13)14)8(15)4(9(16)17)3-6(12)10(18)19/h4-6H,1-3,11-12H2,(H,13,14)(H,16,17)(H,18,19)/t4?,5-,6-/m1/s1
InChIKeyUFYFMOPNIMTIHS-YSLANXFLSA-N
MW276.24 g/mol
LogP-1.75
Rot. Bonds9

About (1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid

(1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid (PubChem CID 87435281) has the molecular formula C10H16N2O7 and a molecular weight of 276.24 g/mol. Its IUPAC name is (1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid.

Molecular Properties

Compound Name(1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid
PubChem CID87435281
Molecular FormulaC10H16N2O7
Molecular Weight276.24 g/mol
Exact Mass276.10
IUPAC Name(1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid
SMILESN[C@H](CC(C(=O)O)C(=O)[C@H](N)CCC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O7/c11-5(1-2-7(13)14)8(15)4(9(16)17)3-6(12)10(18)19/h4-6H,1-3,11-12H2,(H,13,14)(H,16,17)(H,18,19)/t4?,5-,6-/m1/s1
InChIKeyUFYFMOPNIMTIHS-YSLANXFLSA-N
XLogP-1.75
TPSA181.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-1.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-aminopentanedioic acid;(3S)-3-aminopropane-1,1,3-tricarboxylic acid
CID 87536446
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
tetrakis((2S)-2-aminobutanedioic acid);(2S)-2-aminopentanedioic acid
CID 160730192
(2S)-2-aminobutanedioic acid;bis((2S)-2-aminopentanedioic acid)
CID 87733347

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid?
The IUPAC name of (1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid (CID 87435281) is (1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid.
What is the SMILES notation for (1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid?
The canonical SMILES for (1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid is N[C@H](CC(C(=O)O)C(=O)[C@H](N)CCC(=O)O)C(=O)O.
What is the InChIKey of (1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid?
The InChIKey is UFYFMOPNIMTIHS-YSLANXFLSA-N. The full InChI is InChI=1S/C10H16N2O7/c11-5(1-2-7(13)14)8(15)4(9(16)17)3-6(12)10(18)19/h4-6H,1-3,11-12H2,(H,13,14)(H,16,17)(H,18,19)/t4?,5-,6-/m1/s1.
What are the key properties of (1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid?
(1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid has a molecular weight of 276.24 g/mol, XLogP of -1.75, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1,5-diamino-4-oxoheptane-1,3,7-tricarboxylic acid is sourced from PubChem (CID 87435281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).