methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate

C19H30N2O3 — CID 97096395

IUPACmethyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate
SMILESCC[C@@H](c1ccccc1)N(CC(=O)N[C@@H](C)C(C)C)CC(=O)OC
InChIInChI=1S/C19H30N2O3/c1-6-17(16-10-8-7-9-11-16)21(13-19(23)24-5)12-18(22)20-15(4)14(2)3/h7-11,14-15,17H,6,12-13H2,1-5H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyVVAVVSMJCQJISK-RDJZCZTQSA-N
MW334.46 g/mol
LogP2.77
Rot. Bonds9

About methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate

methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate (PubChem CID 97096395) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate
PubChem CID97096395
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Namemethyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate
SMILESCC[C@@H](c1ccccc1)N(CC(=O)N[C@@H](C)C(C)C)CC(=O)OC
InChIInChI=1S/C19H30N2O3/c1-6-17(16-10-8-7-9-11-16)21(13-19(23)24-5)12-18(22)20-15(4)14(2)3/h7-11,14-15,17H,6,12-13H2,1-5H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyVVAVVSMJCQJISK-RDJZCZTQSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[(2-amino-1,3-thiazol-5-yl)methyl-(1-phenylpropyl)amino]acetate
CID 120901542
3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 70081456
methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
CID 143937695
methyl 2-[[(1S)-1-phenylpropyl]-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]acetate
CID 97025897
methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610
methyl 2-[methyl(2-phenylbutanoyl)amino]acetate
CID 43422766
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
CID 61164332
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide
CID 56584158
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
methyl 2-[1-phenylpropyl-(3-sulfamoylphenyl)sulfonylamino]acetate
CID 75393205

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate (CID 97096395) is methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate is CC[C@@H](c1ccccc1)N(CC(=O)N[C@@H](C)C(C)C)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate?
The InChIKey is VVAVVSMJCQJISK-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-6-17(16-10-8-7-9-11-16)21(13-19(23)24-5)12-18(22)20-15(4)14(2)3/h7-11,14-15,17H,6,12-13H2,1-5H3,(H,20,22)/t15-,17-/m0/s1.
What are the key properties of methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate?
methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate has a molecular weight of 334.46 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylpropyl]amino]acetate is sourced from PubChem (CID 97096395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).