ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate

C14H28N2O3 — CID 93371679

IUPACethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C14H28N2O3/c1-6-19-13(17)9-16(8-11(4)5)14(18)12(15)7-10(2)3/h10-12H,6-9,15H2,1-5H3/t12-/m1/s1
InChIKeyGRLBDZXOWPWUHY-GFCCVEGCSA-N
MW272.39 g/mol
LogP1.41
Rot. Bonds8

About ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate

ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate (PubChem CID 93371679) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate
PubChem CID93371679
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C14H28N2O3/c1-6-19-13(17)9-16(8-11(4)5)14(18)12(15)7-10(2)3/h10-12H,6-9,15H2,1-5H3/t12-/m1/s1
InChIKeyGRLBDZXOWPWUHY-GFCCVEGCSA-N
XLogP1.41
TPSA72.63 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 79013313
ethyl 2-[(2-amino-4-methylsulfonylbutanoyl)-(2-methylpropyl)amino]acetate
CID 60947867
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
CID 61158746
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 65227189
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-cyclopropylamino]acetate
CID 61164395
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 112687244
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
CID 115426417
ethyl 2-[(3,5-diaminobenzoyl)-(2-methylpropyl)amino]acetate
CID 61105851
(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
CID 62922094
ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate
CID 115290153

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate (CID 93371679) is ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)[C@H](N)CC(C)C.
What is the InChIKey of ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate?
The InChIKey is GRLBDZXOWPWUHY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-19-13(17)9-16(8-11(4)5)14(18)12(15)7-10(2)3/h10-12H,6-9,15H2,1-5H3/t12-/m1/s1.
What are the key properties of ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate?
ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate has a molecular weight of 272.39 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 93371679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).