[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate

C20H27N3O5 — CID 8882621

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C20H27N3O5/c1-12(18(26)28-11-16(24)23-19(27)22-15-9-10-15)21-17(25)13-5-7-14(8-6-13)20(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,21,25)(H2,22,23,24,27)/t12-/m0/s1
InChIKeyXWJKUBRPUMHYTM-LBPRGKRZSA-N
MW389.45 g/mol
LogP1.63
Rot. Bonds6

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate (PubChem CID 8882621) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
PubChem CID8882621
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C20H27N3O5/c1-12(18(26)28-11-16(24)23-19(27)22-15-9-10-15)21-17(25)13-5-7-14(8-6-13)20(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,21,25)(H2,22,23,24,27)/t12-/m0/s1
InChIKeyXWJKUBRPUMHYTM-LBPRGKRZSA-N
XLogP1.63
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882183
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882512
[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882676
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882191
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7565016
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate
CID 7951843
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841947
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882206
[2-(ethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880315
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46661496
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364173
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985367

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate (CID 8882621) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate is C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate?
The InChIKey is XWJKUBRPUMHYTM-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-12(18(26)28-11-16(24)23-19(27)22-15-9-10-15)21-17(25)13-5-7-14(8-6-13)20(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,21,25)(H2,22,23,24,27)/t12-/m0/s1.
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate has a molecular weight of 389.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate is sourced from PubChem (CID 8882621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).