methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate

C18H24N4O7 — CID 118927964

IUPACmethyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C18H24N4O7/c1-28-17(26)7-8-19-14(23)9-20-15(24)10-21-16(25)11-22-18(27)29-12-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,19,23)(H,20,24)(H,21,25)(H,22,27)
InChIKeyQJVOADCNZGUVOM-UHFFFAOYSA-N
MW408.41 g/mol
LogP-1.18
Rot. Bonds11

About methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate

methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate (PubChem CID 118927964) has the molecular formula C18H24N4O7 and a molecular weight of 408.41 g/mol. Its IUPAC name is methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate
PubChem CID118927964
Molecular FormulaC18H24N4O7
Molecular Weight408.41 g/mol
Exact Mass408.16
IUPAC Namemethyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C18H24N4O7/c1-28-17(26)7-8-19-14(23)9-20-15(24)10-21-16(25)11-22-18(27)29-12-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,19,23)(H,20,24)(H,21,25)(H,22,27)
InChIKeyQJVOADCNZGUVOM-UHFFFAOYSA-N
XLogP-1.18
TPSA151.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate with MolForge

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Related Compounds

benzyl 3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 175453126
methyl 3-[3-[3-[3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropoxy]-2-[[3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropoxy]methyl]-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propoxy]propanoylamino]propanoate
CID 134573945
benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126009561
2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid
CID 135285198
methyl 2-[[2-[[2-[[2-(phenylmethoxycarbonylamino)ethanethioyl]amino]ethanethioyl]amino]ethanethioyl]amino]acetate
CID 102434309
benzyl N-[2-(butanoylamino)ethyl]carbamate
CID 130774623
methyl 2-[amino-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
CID 165342996
benzyl (2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate
CID 92526571
(2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 54179329
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
methyl 2-[[2-[[(2R)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]acetate
CID 98141613
methyl 2-[[2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetate
CID 91557425

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate (CID 118927964) is methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate is COC(=O)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate?
The InChIKey is QJVOADCNZGUVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O7/c1-28-17(26)7-8-19-14(23)9-20-15(24)10-21-16(25)11-22-18(27)29-12-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,19,23)(H,20,24)(H,21,25)(H,22,27).
What are the key properties of methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate?
methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate has a molecular weight of 408.41 g/mol, XLogP of -1.18, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate is sourced from PubChem (CID 118927964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).