(3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid

C10H19NO4 — CID 164665986

IUPAC(3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid
SMILESC[C@@H]1N[C@H](C[C@@H](O)CC(=O)O)CC[C@H]1O
InChIInChI=1S/C10H19NO4/c1-6-9(13)3-2-7(11-6)4-8(12)5-10(14)15/h6-9,11-13H,2-5H2,1H3,(H,14,15)/t6-,7-,8+,9+/m0/s1
InChIKeyNFSMPCGPRPZKHW-RBXMUDONSA-N
MW217.26 g/mol
LogP-0.29
Rot. Bonds4

About (3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid

(3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid (PubChem CID 164665986) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid
PubChem CID164665986
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid
SMILESC[C@@H]1N[C@H](C[C@@H](O)CC(=O)O)CC[C@H]1O
InChIInChI=1S/C10H19NO4/c1-6-9(13)3-2-7(11-6)4-8(12)5-10(14)15/h6-9,11-13H,2-5H2,1H3,(H,14,15)/t6-,7-,8+,9+/m0/s1
InChIKeyNFSMPCGPRPZKHW-RBXMUDONSA-N
XLogP-0.29
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid?
The IUPAC name of (3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid (CID 164665986) is (3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid?
The canonical SMILES for (3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid is C[C@@H]1N[C@H](C[C@@H](O)CC(=O)O)CC[C@H]1O.
What is the InChIKey of (3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid?
The InChIKey is NFSMPCGPRPZKHW-RBXMUDONSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6-9(13)3-2-7(11-6)4-8(12)5-10(14)15/h6-9,11-13H,2-5H2,1H3,(H,14,15)/t6-,7-,8+,9+/m0/s1.
What are the key properties of (3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid?
(3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of -0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]butanoic acid is sourced from PubChem (CID 164665986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).