2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid

C7H12N2O2 — CID 19422448

IUPAC2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid
SMILESC#CCN(C)CCNC(=O)O
InChIInChI=1S/C7H12N2O2/c1-3-5-9(2)6-4-8-7(10)11/h1,8H,4-6H2,2H3,(H,10,11)
InChIKeyNQHFLQIWHWODBB-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.18
Rot. Bonds4

About 2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid

2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid (PubChem CID 19422448) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid
PubChem CID19422448
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid
SMILESC#CCN(C)CCNC(=O)O
InChIInChI=1S/C7H12N2O2/c1-3-5-9(2)6-4-8-7(10)11/h1,8H,4-6H2,2H3,(H,10,11)
InChIKeyNQHFLQIWHWODBB-UHFFFAOYSA-N
XLogP-0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid?
The IUPAC name of 2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid (CID 19422448) is 2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid.
What is the SMILES notation for 2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid?
The canonical SMILES for 2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid is C#CCN(C)CCNC(=O)O.
What is the InChIKey of 2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid?
The InChIKey is NQHFLQIWHWODBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-5-9(2)6-4-8-7(10)11/h1,8H,4-6H2,2H3,(H,10,11).
What are the key properties of 2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid?
2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid has a molecular weight of 156.19 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-ynyl)amino]ethylcarbamic acid is sourced from PubChem (CID 19422448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).