2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid

C10H19NO7 — CID 139088476

IUPAC2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
SMILESCC(C)(NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O
InChIInChI=1S/C10H19NO7/c1-9(2,8(15)16)11-4-10(17)7(14)6(13)5(12)3-18-10/h5-7,11-14,17H,3-4H2,1-2H3,(H,15,16)/t5-,6-,7+,10-/m1/s1
InChIKeyWGLMGCFGDAAMIR-QGOVLLJGSA-N
MW265.26 g/mol
LogP-2.76
Rot. Bonds4

About 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid

2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid (PubChem CID 139088476) has the molecular formula C10H19NO7 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
PubChem CID139088476
Molecular FormulaC10H19NO7
Molecular Weight265.26 g/mol
Exact Mass265.12
IUPAC Name2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
SMILESCC(C)(NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O
InChIInChI=1S/C10H19NO7/c1-9(2,8(15)16)11-4-10(17)7(14)6(13)5(12)3-18-10/h5-7,11-14,17H,3-4H2,1-2H3,(H,15,16)/t5-,6-,7+,10-/m1/s1
InChIKeyWGLMGCFGDAAMIR-QGOVLLJGSA-N
XLogP-2.76
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.26
LogP ≤ 5-2.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid with MolForge

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Related Compounds

(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812
(2R,3S,4R,5R)-2-[(4-tert-butylanilino)methyl]oxane-2,3,4,5-tetrol
CID 11716571
(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71751872
(2S,3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971021
3-methyl-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoic acid
CID 14426050
(2S)-3-phenyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
CID 102229196
(2R)-3-phenyl-2-[[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
CID 71316982
2-acetamido-3-methyl-3-nitrososulfanyl-N-[(2,3,4,5-tetrahydroxyoxan-2-yl)methyl]butanamide
CID 5211063
(2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol
CID 11551115
(2S)-2-[[(2S,3R,4R)-2,3,4-trihydroxyoxolan-2-yl]methylamino]propanoic acid
CID 100966866
(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol
CID 45357378
(4S)-2,2,3,3,4-pentadeuterio-4-[[(3R,4S,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]pentanedioic acid
CID 169440823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid (CID 139088476) is 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid is CC(C)(NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O.
What is the InChIKey of 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid?
The InChIKey is WGLMGCFGDAAMIR-QGOVLLJGSA-N. The full InChI is InChI=1S/C10H19NO7/c1-9(2,8(15)16)11-4-10(17)7(14)6(13)5(12)3-18-10/h5-7,11-14,17H,3-4H2,1-2H3,(H,15,16)/t5-,6-,7+,10-/m1/s1.
What are the key properties of 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid?
2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid has a molecular weight of 265.26 g/mol, XLogP of -2.76, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid is sourced from PubChem (CID 139088476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).