[2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate

C22H24N4O7 — CID 163839739

IUPAC[2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate
SMILESNC(COC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C22H24N4O7/c23-17(21(30)26-18(27)11-24-20(29)16-9-5-2-6-10-16)14-32-19(28)12-25-22(31)33-13-15-7-3-1-4-8-15/h1-10,17H,11-14,23H2,(H,24,29)(H,25,31)(H,26,27,30)
InChIKeyOKWZEVNXDMSLNO-UHFFFAOYSA-N
MW456.46 g/mol
LogP-0.14
Rot. Bonds10

About [2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate

[2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate (PubChem CID 163839739) has the molecular formula C22H24N4O7 and a molecular weight of 456.46 g/mol. Its IUPAC name is [2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Name[2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate
PubChem CID163839739
Molecular FormulaC22H24N4O7
Molecular Weight456.46 g/mol
Exact Mass456.16
IUPAC Name[2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate
SMILESNC(COC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C22H24N4O7/c23-17(21(30)26-18(27)11-24-20(29)16-9-5-2-6-10-16)14-32-19(28)12-25-22(31)33-13-15-7-3-1-4-8-15/h1-10,17H,11-14,23H2,(H,24,29)(H,25,31)(H,26,27,30)
InChIKeyOKWZEVNXDMSLNO-UHFFFAOYSA-N
XLogP-0.14
TPSA165.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

benzyl 2-benzamidoacetate;ethane
CID 142836612
2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
CID 151400994
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
(4-benzylsulfonylphenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2960892
benzyl N-(2,3-dioxopropyl)carbamate
CID 105477006
benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
CID 159493604
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2221739
benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064
benzyl N-[2-[[(2S)-2-[bis(2-chloroethyl)amino]-3-phenylpropanoyl]amino]-2-oxoethyl]carbamate
CID 54223365
benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
CID 11449782
cyanomethyl 2-(phenylmethoxycarbonylamino)acetate
CID 17936

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of [2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate (CID 163839739) is [2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for [2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for [2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate is NC(COC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of [2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is OKWZEVNXDMSLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O7/c23-17(21(30)26-18(27)11-24-20(29)16-9-5-2-6-10-16)14-32-19(28)12-25-22(31)33-13-15-7-3-1-4-8-15/h1-10,17H,11-14,23H2,(H,24,29)(H,25,31)(H,26,27,30).
What are the key properties of [2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate?
[2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 456.46 g/mol, XLogP of -0.14, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[(2-benzamidoacetyl)amino]-3-oxopropyl] 2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 163839739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).