2-(2-methylpropylamino)ethylcarbamic acid

C7H16N2O2 — CID 90802590

IUPAC2-(2-methylpropylamino)ethylcarbamic acid
SMILESCC(C)CNCCNC(=O)O
InChIInChI=1S/C7H16N2O2/c1-6(2)5-8-3-4-9-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeyHHANCDYTLUEGEK-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.50
Rot. Bonds5

About 2-(2-methylpropylamino)ethylcarbamic acid

2-(2-methylpropylamino)ethylcarbamic acid (PubChem CID 90802590) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2-methylpropylamino)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-methylpropylamino)ethylcarbamic acid
PubChem CID90802590
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-(2-methylpropylamino)ethylcarbamic acid
SMILESCC(C)CNCCNC(=O)O
InChIInChI=1S/C7H16N2O2/c1-6(2)5-8-3-4-9-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeyHHANCDYTLUEGEK-UHFFFAOYSA-N
XLogP0.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.50
H-Bond Donors ≤ 53
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'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide
CID 167491425
4-(2-methylpropylamino)butanoic acid
CID 18071581
2-[2-(carboxyamino)ethylamino]acetic acid
CID 130335406
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
2-(2-methylpropylamino)ethyl N-ethylcarbamate
CID 138728445
2-(2-methylpropylamino)ethyl 2-methylpropanoate
CID 137470797
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
2-(2-acetamidopropanoylamino)ethylcarbamic acid
CID 19805667
CID 175939227
CID 175939227
2-methyl-N-propylpropan-1-amine
CID 520943
N-[2-(2-methylpropylamino)ethyl]methanesulfonamide
CID 28731714

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)ethylcarbamic acid?
The IUPAC name of 2-(2-methylpropylamino)ethylcarbamic acid (CID 90802590) is 2-(2-methylpropylamino)ethylcarbamic acid.
What is the SMILES notation for 2-(2-methylpropylamino)ethylcarbamic acid?
The canonical SMILES for 2-(2-methylpropylamino)ethylcarbamic acid is CC(C)CNCCNC(=O)O.
What is the InChIKey of 2-(2-methylpropylamino)ethylcarbamic acid?
The InChIKey is HHANCDYTLUEGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(2)5-8-3-4-9-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-methylpropylamino)ethylcarbamic acid?
2-(2-methylpropylamino)ethylcarbamic acid has a molecular weight of 160.22 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)ethylcarbamic acid is sourced from PubChem (CID 90802590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).