2-[2-cyanoethyl(propyl)amino]acetic acid

C8H14N2O2 — CID 62962287

IUPAC2-[2-cyanoethyl(propyl)amino]acetic acid
SMILESCCCN(CCC#N)CC(=O)O
InChIInChI=1S/C8H14N2O2/c1-2-5-10(6-3-4-9)7-8(11)12/h2-3,5-7H2,1H3,(H,11,12)
InChIKeyMXOAXUCWTRLYOM-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.70
Rot. Bonds6

About 2-[2-cyanoethyl(propyl)amino]acetic acid

2-[2-cyanoethyl(propyl)amino]acetic acid (PubChem CID 62962287) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[2-cyanoethyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-cyanoethyl(propyl)amino]acetic acid
PubChem CID62962287
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-[2-cyanoethyl(propyl)amino]acetic acid
SMILESCCCN(CCC#N)CC(=O)O
InChIInChI=1S/C8H14N2O2/c1-2-5-10(6-3-4-9)7-8(11)12/h2-3,5-7H2,1H3,(H,11,12)
InChIKeyMXOAXUCWTRLYOM-UHFFFAOYSA-N
XLogP0.70
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
N,N-bis(2-cyanoethyl)-2-(dipropylamino)acetamide
CID 21354456
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426059
2-[[2-cyanoethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 43135817
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid
CID 156737158
2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
CID 143929196

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2-cyanoethyl(propyl)amino]acetic acid (CID 62962287) is 2-[2-cyanoethyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2-cyanoethyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2-cyanoethyl(propyl)amino]acetic acid is CCCN(CCC#N)CC(=O)O.
What is the InChIKey of 2-[2-cyanoethyl(propyl)amino]acetic acid?
The InChIKey is MXOAXUCWTRLYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-5-10(6-3-4-9)7-8(11)12/h2-3,5-7H2,1H3,(H,11,12).
What are the key properties of 2-[2-cyanoethyl(propyl)amino]acetic acid?
2-[2-cyanoethyl(propyl)amino]acetic acid has a molecular weight of 170.21 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(propyl)amino]acetic acid is sourced from PubChem (CID 62962287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).