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

C10H18N2O4 — CID 80750387

IUPAC(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCN(C(=O)N[C@H](CO)C(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-7-2-4-12(5-3-7)10(16)11-8(6-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t8-/m1/s1
InChIKeyGOEHLDITNVHNPM-MRVPVSSYSA-N
MW230.26 g/mol
LogP-0.13
Rot. Bonds3

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

(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 80750387) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID80750387
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCN(C(=O)N[C@H](CO)C(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-7-2-4-12(5-3-7)10(16)11-8(6-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t8-/m1/s1
InChIKeyGOEHLDITNVHNPM-MRVPVSSYSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
5-methoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 82787410
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 62329877
(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757373
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 80750387) is (2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid is CC1CCN(C(=O)N[C@H](CO)C(=O)O)CC1.
What is the InChIKey of (2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is GOEHLDITNVHNPM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7-2-4-12(5-3-7)10(16)11-8(6-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 80750387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).