2-aminoethylcarbamic acid;toluene

C10H16N2O2 — CID 70566419

IUPAC2-aminoethylcarbamic acid;toluene
SMILESCc1ccccc1.NCCNC(=O)O
InChIInChI=1S/C7H8.C3H8N2O2/c1-7-5-3-2-4-6-7;4-1-2-5-3(6)7/h2-6H,1H3;5H,1-2,4H2,(H,6,7)
InChIKeyPZYSYKDILXUKRD-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.21
Rot. Bonds2

About 2-aminoethylcarbamic acid;toluene

2-aminoethylcarbamic acid;toluene (PubChem CID 70566419) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-aminoethylcarbamic acid;toluene.

Molecular Properties

Compound Name2-aminoethylcarbamic acid;toluene
PubChem CID70566419
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-aminoethylcarbamic acid;toluene
SMILESCc1ccccc1.NCCNC(=O)O
InChIInChI=1S/C7H8.C3H8N2O2/c1-7-5-3-2-4-6-7;4-1-2-5-3(6)7/h2-6H,1H3;5H,1-2,4H2,(H,6,7)
InChIKeyPZYSYKDILXUKRD-UHFFFAOYSA-N
XLogP1.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-aminoethylcarbamic acid;ethane-1,2-diamine
CID 173123668
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
CID 70451906
N-(2-aminoethyl)benzamide;ethane
CID 143976252
(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 54579039
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
acetic acid;guanidine;toluene
CID 160673337
N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide
CID 61208870
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
ethanamine;formic acid;toluene
CID 155783408
2-acetamidoacetamide;ethane;toluene
CID 145152417

Frequently Asked Questions

What is the IUPAC name of 2-aminoethylcarbamic acid;toluene?
The IUPAC name of 2-aminoethylcarbamic acid;toluene (CID 70566419) is 2-aminoethylcarbamic acid;toluene.
What is the SMILES notation for 2-aminoethylcarbamic acid;toluene?
The canonical SMILES for 2-aminoethylcarbamic acid;toluene is Cc1ccccc1.NCCNC(=O)O.
What is the InChIKey of 2-aminoethylcarbamic acid;toluene?
The InChIKey is PZYSYKDILXUKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H8N2O2/c1-7-5-3-2-4-6-7;4-1-2-5-3(6)7/h2-6H,1H3;5H,1-2,4H2,(H,6,7).
What are the key properties of 2-aminoethylcarbamic acid;toluene?
2-aminoethylcarbamic acid;toluene has a molecular weight of 196.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylcarbamic acid;toluene is sourced from PubChem (CID 70566419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).