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

C10H18N2O4 — CID 107068392

IUPAC(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
SMILESCC1CCCNC1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-3-2-4-11-8(6)9(14)12-7(5-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)/t6?,7-,8?/m1/s1
InChIKeyXJDIEUGFBYZBLY-ZUEIMRROSA-N
MW230.26 g/mol
LogP-1.06
Rot. Bonds4

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

(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid (PubChem CID 107068392) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
PubChem CID107068392
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
SMILESCC1CCCNC1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-3-2-4-11-8(6)9(14)12-7(5-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)/t6?,7-,8?/m1/s1
InChIKeyXJDIEUGFBYZBLY-ZUEIMRROSA-N
XLogP-1.06
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 ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
CID 107067933
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348
(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825151
2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid
CID 102779851
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80750843
(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 80747756
3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913543
N-(2,3-dihydroxypropyl)-3-methylpiperidine-2-carboxamide
CID 107068312
2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
CID 107067870
3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739595
3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 62340143

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid (CID 107068392) is (2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid is CC1CCCNC1C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid?
The InChIKey is XJDIEUGFBYZBLY-ZUEIMRROSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-3-2-4-11-8(6)9(14)12-7(5-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)/t6?,7-,8?/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -1.06, 4 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-methylpiperidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107068392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).