(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid

C12H20N2O5 — CID 107835514

IUPAC(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid
SMILESNC1CCC(C(=O)N[C@H](CCCC(=O)O)C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c13-8-5-4-7(6-8)11(17)14-9(12(18)19)2-1-3-10(15)16/h7-9H,1-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t7?,8?,9-/m1/s1
InChIKeyMEQPAKODZCHLRS-AMDVSUOASA-N
MW272.30 g/mol
LogP-0.06
Rot. Bonds7

About (2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid

(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid (PubChem CID 107835514) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid
PubChem CID107835514
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid
SMILESNC1CCC(C(=O)N[C@H](CCCC(=O)O)C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c13-8-5-4-7(6-8)11(17)14-9(12(18)19)2-1-3-10(15)16/h7-9H,1-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t7?,8?,9-/m1/s1
InChIKeyMEQPAKODZCHLRS-AMDVSUOASA-N
XLogP-0.06
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
2-[(3-aminocyclohexanecarbonyl)amino]-5-methoxypentanoic acid
CID 81078641
2-(cyclobutanecarbonylamino)pentanedioic acid
CID 60657073
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
(2R)-2-(thiolane-2-carbonylamino)hexanedioic acid
CID 107831322
(2S)-2-[[4-(4-methylpentyl)cyclohexanecarbonyl]amino]pentanedioic acid
CID 22812711
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid
CID 107831330
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337
6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
CID 65286189
2-[(3-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 63045913
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid
CID 66009453

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid?
The IUPAC name of (2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid (CID 107835514) is (2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid is NC1CCC(C(=O)N[C@H](CCCC(=O)O)C(=O)O)C1.
What is the InChIKey of (2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid?
The InChIKey is MEQPAKODZCHLRS-AMDVSUOASA-N. The full InChI is InChI=1S/C12H20N2O5/c13-8-5-4-7(6-8)11(17)14-9(12(18)19)2-1-3-10(15)16/h7-9H,1-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid?
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid has a molecular weight of 272.30 g/mol, XLogP of -0.06, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid is sourced from PubChem (CID 107835514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).