2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid

C9H19NO4 — CID 63931350

IUPAC2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
SMILESCOCC(O)CN(CC(=O)O)C(C)C
InChIInChI=1S/C9H19NO4/c1-7(2)10(5-9(12)13)4-8(11)6-14-3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyYDHNRPGGUDTBIC-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.21
Rot. Bonds7

About 2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid

2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid (PubChem CID 63931350) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
PubChem CID63931350
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
SMILESCOCC(O)CN(CC(=O)O)C(C)C
InChIInChI=1S/C9H19NO4/c1-7(2)10(5-9(12)13)4-8(11)6-14-3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyYDHNRPGGUDTBIC-UHFFFAOYSA-N
XLogP-0.21
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-butoxy-2-hydroxypropyl)-propan-2-ylamino]acetate
CID 107264311
2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198254
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid
CID 112590569
(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid
CID 122072137
2-(4-chloro-N-(2-hydroxy-3-methoxypropyl)anilino)acetic acid
CID 63928196
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
CID 103224662
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
CID 104564781
2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
CID 63989472

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid (CID 63931350) is 2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid is COCC(O)CN(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid?
The InChIKey is YDHNRPGGUDTBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(2)10(5-9(12)13)4-8(11)6-14-3/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid?
2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid has a molecular weight of 205.25 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 63931350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).