2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid

C14H25N3O4 — CID 103112486

IUPAC2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCN(C)C(=O)C(C)NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-17(3)12(18)9(2)15-14(21)16-11-8-6-5-7-10(11)13(19)20/h9-11H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21)
InChIKeyWNITXWGKRFUUAX-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds5

About 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid

2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 103112486) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID103112486
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCN(C)C(=O)C(C)NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-17(3)12(18)9(2)15-14(21)16-11-8-6-5-7-10(11)13(19)20/h9-11H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21)
InChIKeyWNITXWGKRFUUAX-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 103112486) is 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid is CCN(C)C(=O)C(C)NC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WNITXWGKRFUUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-17(3)12(18)9(2)15-14(21)16-11-8-6-5-7-10(11)13(19)20/h9-11H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21).
What are the key properties of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103112486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).