methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate

C14H28N2O3 — CID 55120997

IUPACmethyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate
SMILESCCNC(C)(C)C(=O)N(CCC(=O)OC)CC(C)C
InChIInChI=1S/C14H28N2O3/c1-7-15-14(4,5)13(18)16(10-11(2)3)9-8-12(17)19-6/h11,15H,7-10H2,1-6H3
InChIKeyAGFUNXPRZCZZGN-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.42
Rot. Bonds8

About methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate

methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate (PubChem CID 55120997) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate
PubChem CID55120997
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate
SMILESCCNC(C)(C)C(=O)N(CCC(=O)OC)CC(C)C
InChIInChI=1S/C14H28N2O3/c1-7-15-14(4,5)13(18)16(10-11(2)3)9-8-12(17)19-6/h11,15H,7-10H2,1-6H3
InChIKeyAGFUNXPRZCZZGN-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate with MolForge

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Related Compounds

Methyl 3-[2-(dimethylamino)acetamido]propanoate
CID 103603748
N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 71936163
Methyl 2-[2-[methyl(2-methylpropyl)amino]propanoylamino]acetate
CID 75405832
methyl (2S)-3-[ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 95159514
Boc-beta-Ala(1)-Aib(2)-beta-Ala(3)-OMe
CID 12112502
Boc-Ala-Aib-bAla-OMe
CID 101241633
Methyl 3-[[2-(propan-2-ylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 54872076
Methyl 3-[[2-(cyclopropylmethylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 60946379
Methyl 3-[[2-(butan-2-ylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 60947932
Methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate
CID 60965170
Methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 61266416
Methyl 3-[[2-(ethylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 61809620

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate (CID 55120997) is methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate is CCNC(C)(C)C(=O)N(CCC(=O)OC)CC(C)C.
What is the InChIKey of methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate?
The InChIKey is AGFUNXPRZCZZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-7-15-14(4,5)13(18)16(10-11(2)3)9-8-12(17)19-6/h11,15H,7-10H2,1-6H3.
What are the key properties of methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate?
methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate has a molecular weight of 272.39 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 55120997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).