methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate

C14H22N2O2 — CID 170884332

IUPACmethyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1cccn1C1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-18-14(17)13(15)10-12-8-5-9-16(12)11-6-3-2-4-7-11/h5,8-9,11,13H,2-4,6-7,10,15H2,1H3
InChIKeyXRBWTFSLFPHUDR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.04
Rot. Bonds4

About methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate

methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate (PubChem CID 170884332) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate
PubChem CID170884332
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1cccn1C1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-18-14(17)13(15)10-12-8-5-9-16(12)11-6-3-2-4-7-11/h5,8-9,11,13H,2-4,6-7,10,15H2,1H3
InChIKeyXRBWTFSLFPHUDR-UHFFFAOYSA-N
XLogP2.04
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyclohexylpyrrol-2-yl)propan-1-amine
CID 170879046
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
methyl 2-amino-3-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]propanoate
CID 170884380
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
(1-cyclopropylpyrrol-2-yl)methanamine
CID 82502418
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine
CID 46784881
2-(1-cyclohexylpyrrol-2-yl)acetonitrile
CID 86149026
methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate
CID 143152114
methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate
CID 170883928
methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate (CID 170884332) is methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate is COC(=O)C(N)Cc1cccn1C1CCCCC1.
What is the InChIKey of methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate?
The InChIKey is XRBWTFSLFPHUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-14(17)13(15)10-12-8-5-9-16(12)11-6-3-2-4-7-11/h5,8-9,11,13H,2-4,6-7,10,15H2,1H3.
What are the key properties of methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate?
methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate has a molecular weight of 250.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate is sourced from PubChem (CID 170884332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).