2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid

C8H17N3O3 — CID 139958062

IUPAC2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid
SMILESCCN(C(=O)O)C(=O)NCCN(C)C
InChIInChI=1S/C8H17N3O3/c1-4-11(8(13)14)7(12)9-5-6-10(2)3/h4-6H2,1-3H3,(H,9,12)(H,13,14)
InChIKeyYPYBIKLNBBCPMQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.26
Rot. Bonds4

About 2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid

2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid (PubChem CID 139958062) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid
PubChem CID139958062
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid
SMILESCCN(C(=O)O)C(=O)NCCN(C)C
InChIInChI=1S/C8H17N3O3/c1-4-11(8(13)14)7(12)9-5-6-10(2)3/h4-6H2,1-3H3,(H,9,12)(H,13,14)
InChIKeyYPYBIKLNBBCPMQ-UHFFFAOYSA-N
XLogP0.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
2-(dimethylamino)ethylurea
CID 16785331
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
3-[tert-butyl-[2-(dimethylamino)ethylcarbamoyl]amino]propanoic acid
CID 61189216
1-[2-(dimethylamino)ethyl]-3-methylurea;propane
CID 158826025
4-[[2-(dimethylamino)ethylcarbamoyl-methylamino]methyl]benzoic acid
CID 61187959
ethane;methyl N-[2-(dimethylamino)ethyl]carbamate
CID 156869212
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide
CID 90205971
3-[3-(dimethylamino)propylcarbamoyl-ethylamino]butanoic acid
CID 62827325
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 21353407
1,3-dibutyl-1-(butylcarbamoyl)urea
CID 101342122

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid?
The IUPAC name of 2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid (CID 139958062) is 2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid.
What is the SMILES notation for 2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid?
The canonical SMILES for 2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid is CCN(C(=O)O)C(=O)NCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid?
The InChIKey is YPYBIKLNBBCPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-4-11(8(13)14)7(12)9-5-6-10(2)3/h4-6H2,1-3H3,(H,9,12)(H,13,14).
What are the key properties of 2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid?
2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid has a molecular weight of 203.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid is sourced from PubChem (CID 139958062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).