5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid

C14H27N3O3 — CID 105419709

IUPAC5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)NCCCCC(=O)O
InChIInChI=1S/C14H27N3O3/c1-16(2)14(8-6-9-14)11-17(3)13(20)15-10-5-4-7-12(18)19/h4-11H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyDPCCIDSCCDPVIC-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.37
Rot. Bonds8

About 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid

5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid (PubChem CID 105419709) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid
PubChem CID105419709
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)NCCCCC(=O)O
InChIInChI=1S/C14H27N3O3/c1-16(2)14(8-6-9-14)11-17(3)13(20)15-10-5-4-7-12(18)19/h4-11H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyDPCCIDSCCDPVIC-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
CID 105419701
5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
CID 103262326
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide
CID 105417667
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
CID 62338164
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide
CID 105417687
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
2-[methyl(pentadecylcarbamoyl)amino]acetic acid
CID 20527934
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
CID 61197489

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid?
The IUPAC name of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid (CID 105419709) is 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid is CN(CC1(N(C)C)CCC1)C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid?
The InChIKey is DPCCIDSCCDPVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-16(2)14(8-6-9-14)11-17(3)13(20)15-10-5-4-7-12(18)19/h4-11H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid?
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid is sourced from PubChem (CID 105419709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).