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

C14H28N2O3 — CID 114004349

IUPAC2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
SMILESCCCCC(CC)CNC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-7-8-12(6-3)10-15-14(19)16(9-5-2)11-13(17)18/h12H,4-11H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWLXFRTDMZKAHMI-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.71
Rot. Bonds10

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

2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid (PubChem CID 114004349) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
PubChem CID114004349
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
SMILESCCCCC(CC)CNC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-7-8-12(6-3)10-15-14(19)16(9-5-2)11-13(17)18/h12H,4-11H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWLXFRTDMZKAHMI-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-ethylhexylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 103995571
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid
CID 107817325
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
CID 102907196
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878
2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid
CID 139906477
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212
2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
CID 61201140
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069707
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid (CID 114004349) is 2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid is CCCCC(CC)CNC(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid?
The InChIKey is WLXFRTDMZKAHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-7-8-12(6-3)10-15-14(19)16(9-5-2)11-13(17)18/h12H,4-11H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid?
2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid is sourced from PubChem (CID 114004349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).