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

C10H18N2O5 — CID 107840590

IUPAC(2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1(O)CCN(C(=O)NC[C@H](O)C(=O)O)CC1
InChIInChI=1S/C10H18N2O5/c1-10(17)2-4-12(5-3-10)9(16)11-6-7(13)8(14)15/h7,13,17H,2-6H2,1H3,(H,11,16)(H,14,15)/t7-/m0/s1
InChIKeyAIWDHAQFWDEQTE-ZETCQYMHSA-N
MW246.26 g/mol
LogP-1.01
Rot. Bonds3

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

(2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 107840590) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID107840590
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1(O)CCN(C(=O)NC[C@H](O)C(=O)O)CC1
InChIInChI=1S/C10H18N2O5/c1-10(17)2-4-12(5-3-10)9(16)11-6-7(13)8(14)15/h7,13,17H,2-6H2,1H3,(H,11,16)(H,14,15)/t7-/m0/s1
InChIKeyAIWDHAQFWDEQTE-ZETCQYMHSA-N
XLogP-1.01
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 ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219
3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 66165088
(2R)-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 81115379
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 66167975
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
2-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65226496
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)propanoic acid
CID 66165537
(2S)-2-hydroxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 107840142
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66164892
2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538651
3-[(4-ethylazepane-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 107840590) is (2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid is CC1(O)CCN(C(=O)NC[C@H](O)C(=O)O)CC1.
What is the InChIKey of (2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is AIWDHAQFWDEQTE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(17)2-4-12(5-3-10)9(16)11-6-7(13)8(14)15/h7,13,17H,2-6H2,1H3,(H,11,16)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of -1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107840590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).