2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid

C12H20N2O4 — CID 167138546

IUPAC2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESNC(CC=O)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c13-10(5-6-15)11(16)14-7-8-3-1-2-4-9(8)12(17)18/h6,8-10H,1-5,7,13H2,(H,14,16)(H,17,18)
InChIKeyQEYCPZYSSKQTKM-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.09
Rot. Bonds6

About 2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid

2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 167138546) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID167138546
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESNC(CC=O)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c13-10(5-6-15)11(16)14-7-8-3-1-2-4-9(8)12(17)18/h6,8-10H,1-5,7,13H2,(H,14,16)(H,17,18)
InChIKeyQEYCPZYSSKQTKM-UHFFFAOYSA-N
XLogP-0.09
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164549554
2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 164549534
CID 164549432
CID 164549432
2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79203111
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468
2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164549463
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 83112749
CID 164549514
CID 164549514
2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164549538
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83114129
2-[(but-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 77103475
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 167138546) is 2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid is NC(CC=O)C(=O)NCC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is QEYCPZYSSKQTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-10(5-6-15)11(16)14-7-8-3-1-2-4-9(8)12(17)18/h6,8-10H,1-5,7,13H2,(H,14,16)(H,17,18).
What are the key properties of 2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 167138546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).