methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate

C12H24N2O3 — CID 62838511

IUPACmethyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate
SMILESCCNC(C)CC(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-13-10(4)7-11(15)14(9(2)3)8-12(16)17-5/h9-10,13H,6-8H2,1-5H3
InChIKeyNFSXOZZWWJZTLI-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.78
Rot. Bonds7

About methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate

methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate (PubChem CID 62838511) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate
PubChem CID62838511
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate
SMILESCCNC(C)CC(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-13-10(4)7-11(15)14(9(2)3)8-12(16)17-5/h9-10,13H,6-8H2,1-5H3
InChIKeyNFSXOZZWWJZTLI-UHFFFAOYSA-N
XLogP0.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate 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

methyl 2-[3-(ethylamino)butanoyl-methylamino]acetate
CID 62839405
methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
CID 114875753
3-(ethylamino)-N-(2-hydroxyethyl)-N-propan-2-ylbutanamide
CID 62838618
methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
CID 60946562
methyl 2-[3,3-dimethylbutanoyl(propan-2-yl)amino]acetate
CID 60766662
methyl 2-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]acetate
CID 82011060
2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid
CID 55209009
methyl 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetate
CID 54945823
methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
CID 60948405
3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide
CID 63008042
methyl 2-[[(2S,3S)-2-amino-3-methylpentanoyl]-propan-2-ylamino]acetate
CID 61164140
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide
CID 62837617

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate (CID 62838511) is methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate is CCNC(C)CC(=O)N(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate?
The InChIKey is NFSXOZZWWJZTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-13-10(4)7-11(15)14(9(2)3)8-12(16)17-5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate?
methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate is sourced from PubChem (CID 62838511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).