3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid

C9H17NO4 — CID 7012970

IUPAC3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid
SMILESC[C@@]1(O)CCOC[C@H]1NCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-9(13)3-5-14-6-7(9)10-4-2-8(11)12/h7,10,13H,2-6H2,1H3,(H,11,12)/t7-,9-/m1/s1
InChIKeyUZBZICLVTOAFGB-VXNVDRBHSA-N
MW203.24 g/mol
LogP-0.41
Rot. Bonds4

About 3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid

3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid (PubChem CID 7012970) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid
PubChem CID7012970
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid
SMILESC[C@@]1(O)CCOC[C@H]1NCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-9(13)3-5-14-6-7(9)10-4-2-8(11)12/h7,10,13H,2-6H2,1H3,(H,11,12)/t7-,9-/m1/s1
InChIKeyUZBZICLVTOAFGB-VXNVDRBHSA-N
XLogP-0.41
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Glycine, N-(1,5-anhydro-2,4-dideoxy-3-C-methyl-L-threo-pentitol-2-yl)-
CID 1747749
L-threo-Pentitol, 1,5-anhydro-2-((3-carboxypropyl)amino)-2,4-dideoxy-3-C-methyl-
CID 1859591
beta-Alanine, N-(1,5-anhydro-2,4-dideoxy-3-C-methyl-L-threo-pentitol-2-yl)-
CID 3077439
L-Glutamic acid, N-(1,5-anhydro-2,4-dideoxy-3-C-methyl-L-threo-pentitol-2-yl)-
CID 5747875
N-(4-hydroxy-4-methyl-3-tetrahydropyranyl) glycine
CID 3799385
3,3,3-Trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid
CID 103257041
3-[(4-Hydroxy-4-methyloxan-3-yl)amino]propanoic acid
CID 3137808
2-[(4-Hydroxy-4-methyloxan-3-yl)amino]-4-methylpentanoic acid
CID 3383157
2-[(4-Hydroxyoxan-4-yl)methylamino]-4-methylpentanoic acid
CID 14861614
2-(4-Hydroxy-4-methyl-tetrahydro-pyran-3-ylamino)-pentanoic acid
CID 551765
methyl (2S)-3-hydroxy-2-(oxan-4-ylmethylamino)propanoate
CID 143797005
2-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]azaniumyl]acetate
CID 1747741

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid?
The IUPAC name of 3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid (CID 7012970) is 3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid?
The canonical SMILES for 3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid is C[C@@]1(O)CCOC[C@H]1NCCC(=O)O.
What is the InChIKey of 3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid?
The InChIKey is UZBZICLVTOAFGB-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(13)3-5-14-6-7(9)10-4-2-8(11)12/h7,10,13H,2-6H2,1H3,(H,11,12)/t7-,9-/m1/s1.
What are the key properties of 3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid?
3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]amino]propanoic acid is sourced from PubChem (CID 7012970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).