2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid

C13H21N3O4 — CID 64817296

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC(=O)NC1CCCCC1C(=O)O)NC1CC1
InChIInChI=1S/C13H21N3O4/c17-11(15-8-5-6-8)7-14-13(20)16-10-4-2-1-3-9(10)12(18)19/h8-10H,1-7H2,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyMVGSQZOBVDCCIB-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.21
Rot. Bonds5

About 2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid

2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 64817296) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID64817296
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC(=O)NC1CCCCC1C(=O)O)NC1CC1
InChIInChI=1S/C13H21N3O4/c17-11(15-8-5-6-8)7-14-13(20)16-10-4-2-1-3-9(10)12(18)19/h8-10H,1-7H2,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyMVGSQZOBVDCCIB-UHFFFAOYSA-N
XLogP0.21
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817864
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
CID 64814150
cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 167012042
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64812284
2-[(4-methylcyclohexyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816374
2-[(1,1-dioxothian-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64816516
2-(3-methoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817862
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995
2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64815987
N-cyclopropyl-2-(propylcarbamoylamino)acetamide
CID 84514772

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 64817296) is 2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(CNC(=O)NC1CCCCC1C(=O)O)NC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MVGSQZOBVDCCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-11(15-8-5-6-8)7-14-13(20)16-10-4-2-1-3-9(10)12(18)19/h8-10H,1-7H2,(H,15,17)(H,18,19)(H2,14,16,20).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).