6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid

C14H25N3O4 — CID 65289330

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

About 6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid

6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid (PubChem CID 65289330) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid
PubChem CID65289330
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C14H25N3O4/c1-9(13(19)20)4-3-5-10(2)15-8-12(18)17-14(21)16-11-6-7-11/h9-11,15H,3-8H2,1-2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyCPXFLAZDHVGJRJ-UHFFFAOYSA-N
XLogP0.84
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83194919
6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid
CID 65290228
(2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83194615
(2S)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83192651
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
6-(cyclopentylmethylamino)-2-methylheptanoic acid
CID 65289181
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909
N-cyclopropyl-2-(hex-5-en-2-ylamino)acetamide
CID 104655408
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 9335295
2-methyl-6-(4-methylpentylamino)heptanoic acid
CID 83157356
N-cyclopentyl-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83177425

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid?
The IUPAC name of 6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid (CID 65289330) is 6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NCC(=O)NC(=O)NC1CC1.
What is the InChIKey of 6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid?
The InChIKey is CPXFLAZDHVGJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(13(19)20)4-3-5-10(2)15-8-12(18)17-14(21)16-11-6-7-11/h9-11,15H,3-8H2,1-2H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid?
6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.84, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid is sourced from PubChem (CID 65289330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).