3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid

C10H18N2O4 — CID 61007980

IUPAC3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CN(C)C(C)=O
InChIInChI=1S/C10H18N2O4/c1-4-12(6-5-10(15)16)9(14)7-11(3)8(2)13/h4-7H2,1-3H3,(H,15,16)
InChIKeyDWUDZFOOFIEZQT-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.21
Rot. Bonds6

About 3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid

3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid (PubChem CID 61007980) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
PubChem CID61007980
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CN(C)C(C)=O
InChIInChI=1S/C10H18N2O4/c1-4-12(6-5-10(15)16)9(14)7-11(3)8(2)13/h4-7H2,1-3H3,(H,15,16)
InChIKeyDWUDZFOOFIEZQT-UHFFFAOYSA-N
XLogP-0.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60989976
methyl 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]acetate
CID 61383689
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]-propan-2-ylamino]propanoic acid
CID 61455997
3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 61008405
3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 61455996
3-[ethyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
CID 61007981
3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 58536616
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
CID 62328666
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61009237
3-[ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid (CID 61007980) is 3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)CN(C)C(C)=O.
What is the InChIKey of 3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid?
The InChIKey is DWUDZFOOFIEZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-4-12(6-5-10(15)16)9(14)7-11(3)8(2)13/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid?
3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid is sourced from PubChem (CID 61007980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).