ethane;2-[methyl(propanoyl)amino]acetic acid

C8H17NO3 — CID 170570723

IUPACethane;2-[methyl(propanoyl)amino]acetic acid
SMILESCC.CCC(=O)N(C)CC(=O)O
InChIInChI=1S/C6H11NO3.C2H6/c1-3-5(8)7(2)4-6(9)10;1-2/h3-4H2,1-2H3,(H,9,10);1-2H3
InChIKeyKKTFUUBZJKPKRV-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.97
Rot. Bonds3

About ethane;2-[methyl(propanoyl)amino]acetic acid

ethane;2-[methyl(propanoyl)amino]acetic acid (PubChem CID 170570723) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethane;2-[methyl(propanoyl)amino]acetic acid.

Molecular Properties

Compound Nameethane;2-[methyl(propanoyl)amino]acetic acid
PubChem CID170570723
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethane;2-[methyl(propanoyl)amino]acetic acid
SMILESCC.CCC(=O)N(C)CC(=O)O
InChIInChI=1S/C6H11NO3.C2H6/c1-3-5(8)7(2)4-6(9)10;1-2/h3-4H2,1-2H3,(H,9,10);1-2H3
InChIKeyKKTFUUBZJKPKRV-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid
CID 143021592
2-[dimethylcarbamoyl(methyl)amino]acetic acid
CID 43135260
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271
2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride
CID 87629075
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
2-[(2-methoxyacetyl)-methylamino]acetic acid
CID 16777253
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
ethane;N-(2-hydroxyethyl)-N-methylpropanamide
CID 143051262
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid
CID 115729781
2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
CID 14985601

Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl(propanoyl)amino]acetic acid?
The IUPAC name of ethane;2-[methyl(propanoyl)amino]acetic acid (CID 170570723) is ethane;2-[methyl(propanoyl)amino]acetic acid.
What is the SMILES notation for ethane;2-[methyl(propanoyl)amino]acetic acid?
The canonical SMILES for ethane;2-[methyl(propanoyl)amino]acetic acid is CC.CCC(=O)N(C)CC(=O)O.
What is the InChIKey of ethane;2-[methyl(propanoyl)amino]acetic acid?
The InChIKey is KKTFUUBZJKPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C2H6/c1-3-5(8)7(2)4-6(9)10;1-2/h3-4H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;2-[methyl(propanoyl)amino]acetic acid?
ethane;2-[methyl(propanoyl)amino]acetic acid has a molecular weight of 175.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl(propanoyl)amino]acetic acid is sourced from PubChem (CID 170570723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).