(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid

C10H18N2O5 — CID 102961873

IUPAC(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCN(C(=O)N[C@H](CO)C(=O)O)CC1O
InChIInChI=1S/C10H18N2O5/c1-6-2-3-12(4-8(6)14)10(17)11-7(5-13)9(15)16/h6-8,13-14H,2-5H2,1H3,(H,11,17)(H,15,16)/t6?,7-,8?/m1/s1
InChIKeyRZJOOZXGJBRSQQ-ZUEIMRROSA-N
MW246.26 g/mol
LogP-1.16
Rot. Bonds3

About (2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 102961873) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID102961873
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCN(C(=O)N[C@H](CO)C(=O)O)CC1O
InChIInChI=1S/C10H18N2O5/c1-6-2-3-12(4-8(6)14)10(17)11-7(5-13)9(15)16/h6-8,13-14H,2-5H2,1H3,(H,11,17)(H,15,16)/t6?,7-,8?/m1/s1
InChIKeyRZJOOZXGJBRSQQ-ZUEIMRROSA-N
XLogP-1.16
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 102961918
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61439141
(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757373
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 112735129
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962820

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 102961873) is (2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid is CC1CCN(C(=O)N[C@H](CO)C(=O)O)CC1O.
What is the InChIKey of (2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is RZJOOZXGJBRSQQ-ZUEIMRROSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-6-2-3-12(4-8(6)14)10(17)11-7(5-13)9(15)16/h6-8,13-14H,2-5H2,1H3,(H,11,17)(H,15,16)/t6?,7-,8?/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of -1.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 102961873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).