methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate

C16H30N4O6 — CID 102470041

IUPACmethyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)CN(C)CCN(C)CC(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C16H30N4O6/c1-11(15(23)25-5)17-13(21)9-19(3)7-8-20(4)10-14(22)18-12(2)16(24)26-6/h11-12H,7-10H2,1-6H3,(H,17,21)(H,18,22)/t11-,12-/m0/s1
InChIKeyUDRLONIHXGZVLA-RYUDHWBXSA-N
MW374.44 g/mol
LogP-1.79
Rot. Bonds11

About methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate

methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate (PubChem CID 102470041) has the molecular formula C16H30N4O6 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate
PubChem CID102470041
Molecular FormulaC16H30N4O6
Molecular Weight374.44 g/mol
Exact Mass374.22
IUPAC Namemethyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)CN(C)CCN(C)CC(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C16H30N4O6/c1-11(15(23)25-5)17-13(21)9-19(3)7-8-20(4)10-14(22)18-12(2)16(24)26-6/h11-12H,7-10H2,1-6H3,(H,17,21)(H,18,22)/t11-,12-/m0/s1
InChIKeyUDRLONIHXGZVLA-RYUDHWBXSA-N
XLogP-1.79
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]propanoate
CID 56817538
methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate
CID 94234133
methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate
CID 62012650
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
2-[2-hydroxyethyl(methyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 60683894
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672
methyl 2-(pentanoylamino)propanoate
CID 541659
methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
CID 60687311
methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011707
methyl 2-(dipropylcarbamoylamino)propanoate
CID 3752223
methyl (2R)-2-acetamidopropanoate
CID 6951031

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate (CID 102470041) is methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)CN(C)CCN(C)CC(=O)N[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate?
The InChIKey is UDRLONIHXGZVLA-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H30N4O6/c1-11(15(23)25-5)17-13(21)9-19(3)7-8-20(4)10-14(22)18-12(2)16(24)26-6/h11-12H,7-10H2,1-6H3,(H,17,21)(H,18,22)/t11-,12-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate?
methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate has a molecular weight of 374.44 g/mol, XLogP of -1.79, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate is sourced from PubChem (CID 102470041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).