2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid

C14H27N3O3 — CID 105419510

IUPAC2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NCC1(N(C)C)CCC1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-4-5-7-11(12(18)19)16-13(20)15-10-14(17(2)3)8-6-9-14/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyAFUWJWXTIPXOFS-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.41
Rot. Bonds8

About 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid

2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid (PubChem CID 105419510) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid
PubChem CID105419510
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NCC1(N(C)C)CCC1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-4-5-7-11(12(18)19)16-13(20)15-10-14(17(2)3)8-6-9-14/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyAFUWJWXTIPXOFS-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid
CID 107146456
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid
CID 107567774
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 105419519
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pent-4-ynoic acid
CID 105419566
(2S)-4-amino-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-oxobutanoic acid
CID 83113497
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2S)-2-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 107145224
(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
CID 107146287
(2S)-2-(2-methylbutylcarbamoylamino)hexanoic acid
CID 107146017

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid (CID 105419510) is 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid is CCCCC(NC(=O)NCC1(N(C)C)CCC1)C(=O)O.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid?
The InChIKey is AFUWJWXTIPXOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-5-7-11(12(18)19)16-13(20)15-10-14(17(2)3)8-6-9-14/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid?
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 105419510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).