ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate

C18H25N3O6 — CID 7990905

IUPACethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O
InChIInChI=1S/C18H25N3O6/c1-4-26-16(23)12-7-5-6-8-13(12)20-15(22)10-27-17(24)14(9-11(2)3)21-18(19)25/h5-8,11,14H,4,9-10H2,1-3H3,(H,20,22)(H3,19,21,25)/t14-/m1/s1
InChIKeyVYSCJMJYULYGSV-CQSZACIVSA-N
MW379.41 g/mol
LogP1.43
Rot. Bonds9

About ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate

ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate (PubChem CID 7990905) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate
PubChem CID7990905
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Nameethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O
InChIInChI=1S/C18H25N3O6/c1-4-26-16(23)12-7-5-6-8-13(12)20-15(22)10-27-17(24)14(9-11(2)3)21-18(19)25/h5-8,11,14H,4,9-10H2,1-3H3,(H,20,22)(H3,19,21,25)/t14-/m1/s1
InChIKeyVYSCJMJYULYGSV-CQSZACIVSA-N
XLogP1.43
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

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CID 61273586
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CID 3395817

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate (CID 7990905) is ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O.
What is the InChIKey of ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate?
The InChIKey is VYSCJMJYULYGSV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-4-26-16(23)12-7-5-6-8-13(12)20-15(22)10-27-17(24)14(9-11(2)3)21-18(19)25/h5-8,11,14H,4,9-10H2,1-3H3,(H,20,22)(H3,19,21,25)/t14-/m1/s1.
What are the key properties of ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate?
ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate has a molecular weight of 379.41 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7990905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).