3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid

C11H16N2O5 — CID 114608626

IUPAC3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
SMILESCOCCn1cccc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-18-6-5-13-4-2-3-9(13)10(15)12-8(7-14)11(16)17/h2-4,8,14H,5-7H2,1H3,(H,12,15)(H,16,17)
InChIKeyWZNSEOHNCNSIIF-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.69
Rot. Bonds7

About 3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid

3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid (PubChem CID 114608626) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
PubChem CID114608626
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
SMILESCOCCn1cccc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-18-6-5-13-4-2-3-9(13)10(15)12-8(7-14)11(16)17/h2-4,8,14H,5-7H2,1H3,(H,12,15)(H,16,17)
InChIKeyWZNSEOHNCNSIIF-UHFFFAOYSA-N
XLogP-0.69
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43638993
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-2-methylpentanoic acid
CID 114609134
1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide
CID 106227866
N-[1-(hydroxymethyl)cyclopropyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609814
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate
CID 104940065
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
3-methoxy-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 81076778
(2R)-4-methylsulfanyl-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid
CID 104906339
1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
CID 114211275
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid (CID 114608626) is 3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid is COCCn1cccc1C(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid?
The InChIKey is WZNSEOHNCNSIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-18-6-5-13-4-2-3-9(13)10(15)12-8(7-14)11(16)17/h2-4,8,14H,5-7H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid?
3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 114608626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).