2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid

C10H21NO4 — CID 175832916

IUPAC2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid
SMILESCCC(O)CC[C@@H](O)CN(C)CC(=O)O
InChIInChI=1S/C10H21NO4/c1-3-8(12)4-5-9(13)6-11(2)7-10(14)15/h8-9,12-13H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyIZZYUNOIPCYBBH-YGPZHTELSA-N
MW219.28 g/mol
LogP-0.09
Rot. Bonds8

About 2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid

2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid (PubChem CID 175832916) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid
PubChem CID175832916
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid
SMILESCCC(O)CC[C@@H](O)CN(C)CC(=O)O
InChIInChI=1S/C10H21NO4/c1-3-8(12)4-5-9(13)6-11(2)7-10(14)15/h8-9,12-13H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyIZZYUNOIPCYBBH-YGPZHTELSA-N
XLogP-0.09
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63900475
3-[2-hydroxybutyl(methyl)amino]propanoic acid
CID 60986786
azanium 2-[methyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl)amino]acetic acid
CID 102295547
2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
CID 63989472
2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid
CID 103371484
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
(4S)-4-hydroxyhexanoic acid
CID 14057564
2-[2-[bis(carboxymethyl)amino]-2-oxoethyl]-5-hydroxyheptanoic acid
CID 159990422
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
2-[fluoromethyl(methyl)amino]acetic acid
CID 87673073
2-fluoro-5-hydroxyheptanoic acid
CID 141415145

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid (CID 175832916) is 2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid is CCC(O)CC[C@@H](O)CN(C)CC(=O)O.
What is the InChIKey of 2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid?
The InChIKey is IZZYUNOIPCYBBH-YGPZHTELSA-N. The full InChI is InChI=1S/C10H21NO4/c1-3-8(12)4-5-9(13)6-11(2)7-10(14)15/h8-9,12-13H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of 2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid?
2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid has a molecular weight of 219.28 g/mol, XLogP of -0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid is sourced from PubChem (CID 175832916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).