2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid

C19H28N2O4 — CID 124696632

IUPAC2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)c(C)n1C1CCCCC1
InChIInChI=1S/C19H28N2O4/c1-13-10-17(14(2)21(13)15-6-4-3-5-7-15)19(24)20-8-9-25-16(12-20)11-18(22)23/h10,15-16H,3-9,11-12H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyUEGLRKGZIKBFRX-MRXNPFEDSA-N
MW348.44 g/mol
LogP2.93
Rot. Bonds4

About 2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124696632) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124696632
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)c(C)n1C1CCCCC1
InChIInChI=1S/C19H28N2O4/c1-13-10-17(14(2)21(13)15-6-4-3-5-7-15)19(24)20-8-9-25-16(12-20)11-18(22)23/h10,15-16H,3-9,11-12H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyUEGLRKGZIKBFRX-MRXNPFEDSA-N
XLogP2.93
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248444
2-[4-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527598
2-[(2S)-4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132212
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612763
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612764
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124611414
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 55564192
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251307
4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid
CID 119216360

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid (CID 124696632) is 2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid is Cc1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)c(C)n1C1CCCCC1.
What is the InChIKey of 2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is UEGLRKGZIKBFRX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-10-17(14(2)21(13)15-6-4-3-5-7-15)19(24)20-8-9-25-16(12-20)11-18(22)23/h10,15-16H,3-9,11-12H2,1-2H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 348.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124696632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).