2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid

C14H25NO6 — CID 107846666

IUPAC2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC(CO)(CO)CO)CCCCC1
InChIInChI=1S/C14H25NO6/c16-8-14(9-17,10-18)15-11(19)6-13(7-12(20)21)4-2-1-3-5-13/h16-18H,1-10H2,(H,15,19)(H,20,21)
InChIKeyUANGXFXUFAGHCA-UHFFFAOYSA-N
MW303.36 g/mol
LogP-0.37
Rot. Bonds8

About 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 107846666) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID107846666
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC(CO)(CO)CO)CCCCC1
InChIInChI=1S/C14H25NO6/c16-8-14(9-17,10-18)15-11(19)6-13(7-12(20)21)4-2-1-3-5-13/h16-18H,1-10H2,(H,15,19)(H,20,21)
InChIKeyUANGXFXUFAGHCA-UHFFFAOYSA-N
XLogP-0.37
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 60941962
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107854816
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833
2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 66184848
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
2-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61071713
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
2-[1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentyl]acetic acid
CID 83004766

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 107846666) is 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NC(CO)(CO)CO)CCCCC1.
What is the InChIKey of 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is UANGXFXUFAGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c16-8-14(9-17,10-18)15-11(19)6-13(7-12(20)21)4-2-1-3-5-13/h16-18H,1-10H2,(H,15,19)(H,20,21).
What are the key properties of 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 303.36 g/mol, XLogP of -0.37, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 107846666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).