4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid

C10H20N2O3 — CID 107795132

IUPAC4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCN(C)C(=O)CNC(C)CCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-12(3)9(13)7-11-8(2)5-6-10(14)15/h8,11H,4-7H2,1-3H3,(H,14,15)
InChIKeyYHOZWRWTWIEMSY-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.31
Rot. Bonds7

About 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid

4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid (PubChem CID 107795132) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
PubChem CID107795132
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCN(C)C(=O)CNC(C)CCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-12(3)9(13)7-11-8(2)5-6-10(14)15/h8,11H,4-7H2,1-3H3,(H,14,15)
InChIKeyYHOZWRWTWIEMSY-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylacetamide
CID 104926691
N-ethyl-2-(1-methoxypropan-2-ylamino)-N-methylacetamide
CID 43309563
2-(1,1-difluoropropan-2-ylamino)-N-ethyl-N-methylacetamide
CID 107644951
3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
CID 62328666
N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
N-ethyl-2-(hexan-3-ylamino)-N-methylacetamide
CID 62119858
N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide
CID 107640502
2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
CID 60964030
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108801
4-[ethyl(methyl)amino]pentanoic acid
CID 62214342
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104922013
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407019

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid (CID 107795132) is 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid is CCN(C)C(=O)CNC(C)CCC(=O)O.
What is the InChIKey of 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid?
The InChIKey is YHOZWRWTWIEMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-12(3)9(13)7-11-8(2)5-6-10(14)15/h8,11H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid?
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 107795132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).