CID 144774628

C21H35NO2 — CID 144774628

IUPAC—
SMILESCN1CCCC1.O=C(O)CC1CCC2(CC2)C2CCC3(CC3)C2C1
InChIInChI=1S/C16H24O2.C5H11N/c17-14(18)10-11-1-3-15(5-6-15)12-2-4-16(7-8-16)13(12)9-11;1-6-4-2-3-5-6/h11-13H,1-10H2,(H,17,18);2-5H2,1H3
InChIKeyOXYBMSRQMNARKR-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.56
Rot. Bonds2

About CID 144774628

CID 144774628 (PubChem CID 144774628) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol.

Molecular Properties

Compound NameCID 144774628
PubChem CID144774628
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name—
SMILESCN1CCCC1.O=C(O)CC1CCC2(CC2)C2CCC3(CC3)C2C1
InChIInChI=1S/C16H24O2.C5H11N/c17-14(18)10-11-1-3-15(5-6-15)12-2-4-16(7-8-16)13(12)9-11;1-6-4-2-3-5-6/h11-13H,1-10H2,(H,17,18);2-5H2,1H3
InChIKeyOXYBMSRQMNARKR-UHFFFAOYSA-N
XLogP4.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 144774623
CID 144774623
CID 144774659
CID 144774659
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
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2-(1-methylpyrrolidin-3-yl)acetic acid
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2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid
CID 141026926
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606181
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
2-spiro[2.3]hexan-6-ylacetic acid
CID 121207798
2-[3-(hydroxymethyl)cyclopentyl]acetic acid
CID 105430907
2-(4,4-diethylcyclohexyl)acetic acid
CID 123185635

Frequently Asked Questions

What is the IUPAC name of CID 144774628?
The IUPAC name of CID 144774628 (CID 144774628) is not available.
What is the SMILES notation for CID 144774628?
The canonical SMILES for CID 144774628 is CN1CCCC1.O=C(O)CC1CCC2(CC2)C2CCC3(CC3)C2C1.
What is the InChIKey of CID 144774628?
The InChIKey is OXYBMSRQMNARKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2.C5H11N/c17-14(18)10-11-1-3-15(5-6-15)12-2-4-16(7-8-16)13(12)9-11;1-6-4-2-3-5-6/h11-13H,1-10H2,(H,17,18);2-5H2,1H3.
What are the key properties of CID 144774628?
CID 144774628 has a molecular weight of 333.52 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144774628 is sourced from PubChem (CID 144774628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).