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

C10H18N2O4 — CID 104596612

IUPAC(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
SMILESCC1(C(=O)N[C@@H](CO)C(=O)O)CCCCN1
InChIInChI=1S/C10H18N2O4/c1-10(4-2-3-5-11-10)9(16)12-7(6-13)8(14)15/h7,11,13H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,10?/m0/s1
InChIKeyMXOOYHCKCKTZGX-BYDSUWOYSA-N
MW230.26 g/mol
LogP-0.92
Rot. Bonds4

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

(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid (PubChem CID 104596612) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
PubChem CID104596612
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
SMILESCC1(C(=O)N[C@@H](CO)C(=O)O)CCCCN1
InChIInChI=1S/C10H18N2O4/c1-10(4-2-3-5-11-10)9(16)12-7(6-13)8(14)15/h7,11,13H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,10?/m0/s1
InChIKeyMXOOYHCKCKTZGX-BYDSUWOYSA-N
XLogP-0.92
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 104596611
N-[(2S)-1-hydroxypropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107218975
(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824378
5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 104597036
(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 103870614
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 113368563
(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid
CID 82813014
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
CID 106161126
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpiperidine-2-carboxamide
CID 104596135

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid (CID 104596612) is (2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid is CC1(C(=O)N[C@@H](CO)C(=O)O)CCCCN1.
What is the InChIKey of (2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid?
The InChIKey is MXOOYHCKCKTZGX-BYDSUWOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(4-2-3-5-11-10)9(16)12-7(6-13)8(14)15/h7,11,13H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,10?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid?
(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 104596612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).