(2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid

C13H18N2O6 — CID 81155833

IUPAC(2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C13H18N2O6/c16-9(14-13(12(20)21)5-3-6-13)10(17)15-7-2-1-4-8(15)11(18)19/h8H,1-7H2,(H,14,16)(H,18,19)(H,20,21)/t8-/m1/s1
InChIKeyFYWVWWBAVLLBSH-MRVPVSSYSA-N
MW298.30 g/mol
LogP-0.42
Rot. Bonds3

About (2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid

(2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid (PubChem CID 81155833) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
PubChem CID81155833
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name(2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C13H18N2O6/c16-9(14-13(12(20)21)5-3-6-13)10(17)15-7-2-1-4-8(15)11(18)19/h8H,1-7H2,(H,14,16)(H,18,19)(H,20,21)/t8-/m1/s1
InChIKeyFYWVWWBAVLLBSH-MRVPVSSYSA-N
XLogP-0.42
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034718
1-(2-cyclopentyl-2-oxoacetyl)azepane-2-carboxylic acid
CID 58958728
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 66262675
(2R)-1-[2-(1-carboxypropan-2-ylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034849
(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034631
(2R)-1-[2-(1-aminocyclobutyl)acetyl]piperidine-2-carboxylic acid
CID 79854851
(2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79463023
(2R)-1-[2-[2-carboxyethyl(methyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034946
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid (CID 81155833) is (2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid is O=C(NC1(C(=O)O)CCC1)C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The InChIKey is FYWVWWBAVLLBSH-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18N2O6/c16-9(14-13(12(20)21)5-3-6-13)10(17)15-7-2-1-4-8(15)11(18)19/h8H,1-7H2,(H,14,16)(H,18,19)(H,20,21)/t8-/m1/s1.
What are the key properties of (2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 81155833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).