3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid

C10H20N2O3 — CID 62826739

IUPAC3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid
SMILESCCN(C(C)CC(=O)O)C(C)C(=O)NC
InChIInChI=1S/C10H20N2O3/c1-5-12(7(2)6-9(13)14)8(3)10(15)11-4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyGPHQTLOWZFQWRB-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.31
Rot. Bonds6

About 3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid

3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid (PubChem CID 62826739) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid
PubChem CID62826739
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid
SMILESCCN(C(C)CC(=O)O)C(C)C(=O)NC
InChIInChI=1S/C10H20N2O3/c1-5-12(7(2)6-9(13)14)8(3)10(15)11-4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyGPHQTLOWZFQWRB-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3-[ethyl(propan-2-yl)amino]butanoic acid
CID 43537443
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
3-[but-3-en-2-yl(ethyl)amino]butanoic acid
CID 62828162
2-[acetyl(ethyl)amino]-N-methylpropanamide
CID 58672021
2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43442200
2-(methylcarbamoyl)butanedioic acid
CID 163667054
2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
CID 63761733
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284
2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065911
4-(methylamino)-4-oxo-3-(propanoylamino)butanoic acid
CID 23556652
3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
CID 62827512
3-[ethyl-[4-(methylamino)-4-oxobutyl]amino]butanoic acid
CID 63892314

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid (CID 62826739) is 3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid is CCN(C(C)CC(=O)O)C(C)C(=O)NC.
What is the InChIKey of 3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The InChIKey is GPHQTLOWZFQWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-12(7(2)6-9(13)14)8(3)10(15)11-4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14).
What are the key properties of 3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid?
3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid is sourced from PubChem (CID 62826739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).