2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid

C12H24N2O3 — CID 54900395

IUPAC2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C12H24N2O3/c1-5-14(8-11(15)16)10(4)12(17)13-7-6-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyTXLUIXJPVVTDNS-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.94
Rot. Bonds8

About 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 54900395) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID54900395
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C12H24N2O3/c1-5-14(8-11(15)16)10(4)12(17)13-7-6-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyTXLUIXJPVVTDNS-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide
CID 54987708
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
2-[[1-oxo-1-(propylamino)propan-2-yl]-prop-2-ynylamino]acetic acid
CID 79283109
2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945162
2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 60839596
2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065911
2-[butan-2-yl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184230
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
3-[ethyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]-2-methylpropanoic acid
CID 62853681
2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425496
2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
CID 65063808

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 54900395) is 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid is CCN(CC(=O)O)C(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is TXLUIXJPVVTDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-14(8-11(15)16)10(4)12(17)13-7-6-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 54900395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).