methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate

C19H25N3O5 — CID 55962022

IUPACmethyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)C(NC(C)=O)C2CCCC2)c1
InChIInChI=1S/C19H25N3O5/c1-12(23)21-17(13-6-3-4-7-13)19(26)22-15-9-5-8-14(10-15)18(25)20-11-16(24)27-2/h5,8-10,13,17H,3-4,6-7,11H2,1-2H3,(H,20,25)(H,21,23)(H,22,26)
InChIKeyGXIRSRYLGUYYPS-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.22
Rot. Bonds7

About methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate

methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate (PubChem CID 55962022) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate
PubChem CID55962022
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Namemethyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)C(NC(C)=O)C2CCCC2)c1
InChIInChI=1S/C19H25N3O5/c1-12(23)21-17(13-6-3-4-7-13)19(26)22-15-9-5-8-14(10-15)18(25)20-11-16(24)27-2/h5,8-10,13,17H,3-4,6-7,11H2,1-2H3,(H,20,25)(H,21,23)(H,22,26)
InChIKeyGXIRSRYLGUYYPS-UHFFFAOYSA-N
XLogP1.22
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate with MolForge

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Related Compounds

2-acetamido-2-cyclopentyl-N-(3-ethylphenyl)acetamide
CID 51272125
(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide
CID 97099193
methyl 2-[[3-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]benzoyl]amino]acetate
CID 55750553
2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid
CID 62696710
2-acetamido-2-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 17448058
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882218
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 7831456
methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 55779526
methyl 2-[[3-(octanoylamino)benzoyl]amino]acetate
CID 60513877
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 42963490
methyl 2-[[3-[[(2S)-1-benzylazetidine-2-carbonyl]amino]benzoyl]amino]acetate
CID 96509463

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate (CID 55962022) is methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(NC(=O)C(NC(C)=O)C2CCCC2)c1.
What is the InChIKey of methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate?
The InChIKey is GXIRSRYLGUYYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-12(23)21-17(13-6-3-4-7-13)19(26)22-15-9-5-8-14(10-15)18(25)20-11-16(24)27-2/h5,8-10,13,17H,3-4,6-7,11H2,1-2H3,(H,20,25)(H,21,23)(H,22,26).
What are the key properties of methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate?
methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate has a molecular weight of 375.43 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate is sourced from PubChem (CID 55962022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).