2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid

C12H24N2O3 — CID 65042694

IUPAC2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC(CC)(CC)CC
InChIInChI=1S/C12H24N2O3/c1-5-12(6-2,7-3)13-11(17)14(8-4)9-10(15)16/h5-9H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyOMKWMDKTKGQKOW-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.07
Rot. Bonds7

About 2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid

2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid (PubChem CID 65042694) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
PubChem CID65042694
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC(CC)(CC)CC
InChIInChI=1S/C12H24N2O3/c1-5-12(6-2,7-3)13-11(17)14(8-4)9-10(15)16/h5-9H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyOMKWMDKTKGQKOW-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
CID 79256452
2-[3-methylpentan-3-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 106330660
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
CID 61471634
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79799061
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
CID 106346590
2-[(3,5-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid
CID 64733515
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid
CID 113364267
2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid
CID 63180254

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid (CID 65042694) is 2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)NC(CC)(CC)CC.
What is the InChIKey of 2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid?
The InChIKey is OMKWMDKTKGQKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-12(6-2,7-3)13-11(17)14(8-4)9-10(15)16/h5-9H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid?
2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 65042694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).