2-(dicyclopropylmethylcarbamoylamino)hexanoic acid

C14H24N2O3 — CID 61480513

IUPAC2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
SMILESCCCCC(NC(=O)NC(C1CC1)C1CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-2-3-4-11(13(17)18)15-14(19)16-12(9-5-6-9)10-7-8-10/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyIZVXQRTXJIBJQL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.12
Rot. Bonds8

About 2-(dicyclopropylmethylcarbamoylamino)hexanoic acid

2-(dicyclopropylmethylcarbamoylamino)hexanoic acid (PubChem CID 61480513) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(dicyclopropylmethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
PubChem CID61480513
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
SMILESCCCCC(NC(=O)NC(C1CC1)C1CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-2-3-4-11(13(17)18)15-14(19)16-12(9-5-6-9)10-7-8-10/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyIZVXQRTXJIBJQL-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid
CID 107839000
2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid
CID 62406894
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2S)-2-(4-methylpentan-2-ylcarbamoylamino)hexanoic acid
CID 107145488
2-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 54954839
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
2-[3-(cyclopropylamino)propylcarbamoylamino]hexanoic acid
CID 61404756
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107145683
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylmethylcarbamoylamino)hexanoic acid?
The IUPAC name of 2-(dicyclopropylmethylcarbamoylamino)hexanoic acid (CID 61480513) is 2-(dicyclopropylmethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 2-(dicyclopropylmethylcarbamoylamino)hexanoic acid?
The canonical SMILES for 2-(dicyclopropylmethylcarbamoylamino)hexanoic acid is CCCCC(NC(=O)NC(C1CC1)C1CC1)C(=O)O.
What is the InChIKey of 2-(dicyclopropylmethylcarbamoylamino)hexanoic acid?
The InChIKey is IZVXQRTXJIBJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-3-4-11(13(17)18)15-14(19)16-12(9-5-6-9)10-7-8-10/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(dicyclopropylmethylcarbamoylamino)hexanoic acid?
2-(dicyclopropylmethylcarbamoylamino)hexanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylmethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61480513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).