[5-(dimethylamino)-5-oxopentyl]carbamic acid

C8H16N2O3 — CID 87506215

IUPAC[5-(dimethylamino)-5-oxopentyl]carbamic acid
SMILESCN(C)C(=O)CCCCNC(=O)O
InChIInChI=1S/C8H16N2O3/c1-10(2)7(11)5-3-4-6-9-8(12)13/h9H,3-6H2,1-2H3,(H,12,13)
InChIKeyIOVCZUSYFZIIQB-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.51
Rot. Bonds5

About [5-(dimethylamino)-5-oxopentyl]carbamic acid

[5-(dimethylamino)-5-oxopentyl]carbamic acid (PubChem CID 87506215) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is [5-(dimethylamino)-5-oxopentyl]carbamic acid.

Molecular Properties

Compound Name[5-(dimethylamino)-5-oxopentyl]carbamic acid
PubChem CID87506215
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name[5-(dimethylamino)-5-oxopentyl]carbamic acid
SMILESCN(C)C(=O)CCCCNC(=O)O
InChIInChI=1S/C8H16N2O3/c1-10(2)7(11)5-3-4-6-9-8(12)13/h9H,3-6H2,1-2H3,(H,12,13)
InChIKeyIOVCZUSYFZIIQB-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(methylcarbamoylamino)butanamide
CID 59006534
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide
CID 166186517
N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
CID 86082203
7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
CID 119748258
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
11-hydroxy-N,N-dimethylundecanamide
CID 14819907
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
12-hydroxy-N,N-dimethyldodecanamide
CID 14819908
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
butylcarbamic acid
CID 3026651

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-5-oxopentyl]carbamic acid?
The IUPAC name of [5-(dimethylamino)-5-oxopentyl]carbamic acid (CID 87506215) is [5-(dimethylamino)-5-oxopentyl]carbamic acid.
What is the SMILES notation for [5-(dimethylamino)-5-oxopentyl]carbamic acid?
The canonical SMILES for [5-(dimethylamino)-5-oxopentyl]carbamic acid is CN(C)C(=O)CCCCNC(=O)O.
What is the InChIKey of [5-(dimethylamino)-5-oxopentyl]carbamic acid?
The InChIKey is IOVCZUSYFZIIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-10(2)7(11)5-3-4-6-9-8(12)13/h9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of [5-(dimethylamino)-5-oxopentyl]carbamic acid?
[5-(dimethylamino)-5-oxopentyl]carbamic acid has a molecular weight of 188.23 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-5-oxopentyl]carbamic acid is sourced from PubChem (CID 87506215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).