2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid

C12H22N2O3 — CID 67692598

IUPAC2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid
SMILESC[C@H](N)C(=O)N1CCC(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-8(13)10(15)14-6-4-9(5-7-14)12(2,3)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)/t8-/m0/s1
InChIKeyXXZBTVOPCBCAMX-QMMMGPOBSA-N
MW242.32 g/mol
LogP0.68
Rot. Bonds3

About 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid

2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid (PubChem CID 67692598) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid
PubChem CID67692598
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid
SMILESC[C@H](N)C(=O)N1CCC(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-8(13)10(15)14-6-4-9(5-7-14)12(2,3)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)/t8-/m0/s1
InChIKeyXXZBTVOPCBCAMX-QMMMGPOBSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207
[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
CID 67663006
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid (CID 67692598) is 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid is C[C@H](N)C(=O)N1CCC(C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid?
The InChIKey is XXZBTVOPCBCAMX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(13)10(15)14-6-4-9(5-7-14)12(2,3)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)/t8-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid?
2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 67692598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).