tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate

C15H24N2O4 — CID 104940065

IUPACtert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate
SMILESCOCCn1cccc1C(=O)N[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-11(14(19)21-15(2,3)4)16-13(18)12-7-6-8-17(12)9-10-20-5/h6-8,11H,9-10H2,1-5H3,(H,16,18)/t11-/m0/s1
InChIKeyCFRXVQNZEYBEIE-NSHDSACASA-N
MW296.37 g/mol
LogP1.59
Rot. Bonds6

About tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate

tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate (PubChem CID 104940065) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate
PubChem CID104940065
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate
SMILESCOCCn1cccc1C(=O)N[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-11(14(19)21-15(2,3)4)16-13(18)12-7-6-8-17(12)9-10-20-5/h6-8,11H,9-10H2,1-5H3,(H,16,18)/t11-/m0/s1
InChIKeyCFRXVQNZEYBEIE-NSHDSACASA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide
CID 106227866
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
N-(2,3-dihydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609704
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid
CID 114608778
tert-butyl (2S)-2-[(2,6-dimethylbenzoyl)amino]propanoate
CID 103822375
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-2-methylpentanoic acid
CID 114609134
tert-butyl (2S)-2-[(2,6-dihydroxybenzoyl)amino]propanoate
CID 103890672
1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide
CID 106223251
1-(2-methoxyethyl)-N-(4-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 114696201

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate?
The IUPAC name of tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate (CID 104940065) is tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate is COCCn1cccc1C(=O)N[C@@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate?
The InChIKey is CFRXVQNZEYBEIE-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(14(19)21-15(2,3)4)16-13(18)12-7-6-8-17(12)9-10-20-5/h6-8,11H,9-10H2,1-5H3,(H,16,18)/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate?
tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate has a molecular weight of 296.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate is sourced from PubChem (CID 104940065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).