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

C10H18N2O3 — CID 942904

IUPAC(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCN(C(=O)N[C@@H](C)C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-7-3-5-12(6-4-7)10(15)11-8(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m0/s1
InChIKeyIDYSAVHNEYPABQ-QMMMGPOBSA-N
MW214.26 g/mol
LogP0.90
Rot. Bonds2

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

(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 942904) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID942904
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCN(C(=O)N[C@@H](C)C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-7-3-5-12(6-4-7)10(15)11-8(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m0/s1
InChIKeyIDYSAVHNEYPABQ-QMMMGPOBSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
(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
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752
(2R)-3-methyl-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 79009778
(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid
CID 78989393
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
N-(dicyclopropylmethyl)-4-methylpiperidine-1-carboxamide
CID 113224116
N-[(2R)-1-aminopropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 96683106

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 942904) is (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid is CC1CCN(C(=O)N[C@@H](C)C(=O)O)CC1.
What is the InChIKey of (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is IDYSAVHNEYPABQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-3-5-12(6-4-7)10(15)11-8(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid?
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 942904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).