6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid

C14H25N3O4 — CID 65290228

IUPAC6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NCC(=O)NC1CC1
InChIInChI=1S/C14H25N3O4/c1-9(13(19)20)4-3-5-10(2)16-14(21)15-8-12(18)17-11-6-7-11/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20)(H2,15,16,21)
InChIKeyKTYDLTNHWRZICA-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.84
Rot. Bonds9

About 6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid

6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid (PubChem CID 65290228) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid
PubChem CID65290228
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NCC(=O)NC1CC1
InChIInChI=1S/C14H25N3O4/c1-9(13(19)20)4-3-5-10(2)16-14(21)15-8-12(18)17-11-6-7-11/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20)(H2,15,16,21)
InChIKeyKTYDLTNHWRZICA-UHFFFAOYSA-N
XLogP0.84
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65289330
(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid
CID 104965896
(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
CID 61201562
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995
6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid
CID 65289434
6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid
CID 65289906
6-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylheptanoic acid
CID 104829393
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107838516
2-[[2-(6-methylheptan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61471562
6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid?
The IUPAC name of 6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid (CID 65290228) is 6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid?
The canonical SMILES for 6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)NCC(=O)NC1CC1.
What is the InChIKey of 6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid?
The InChIKey is KTYDLTNHWRZICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(13(19)20)4-3-5-10(2)16-14(21)15-8-12(18)17-11-6-7-11/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20)(H2,15,16,21).
What are the key properties of 6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid?
6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.84, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid is sourced from PubChem (CID 65290228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).