N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide

C11H21N3O2 — CID 96554565

IUPACN-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C11H21N3O2/c1-8(12)11(16)14-5-3-4-10(7-14)6-13-9(2)15/h8,10H,3-7,12H2,1-2H3,(H,13,15)/t8-,10-/m0/s1
InChIKeyHIMRSGODEYBZHH-WPRPVWTQSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds3

About N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide

N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide (PubChem CID 96554565) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
PubChem CID96554565
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C11H21N3O2/c1-8(12)11(16)14-5-3-4-10(7-14)6-13-9(2)15/h8,10H,3-7,12H2,1-2H3,(H,13,15)/t8-,10-/m0/s1
InChIKeyHIMRSGODEYBZHH-WPRPVWTQSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide
CID 119746034
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
N-[[(3R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]acetamide
CID 96554614
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129495721
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
2-[1-(2-aminopropanoyl)piperidin-3-yl]acetamide;hydrochloride
CID 119339824
N-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl]acetamide
CID 139656045
N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide (CID 96554565) is N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)N)C1.
What is the InChIKey of N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is HIMRSGODEYBZHH-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(12)11(16)14-5-3-4-10(7-14)6-13-9(2)15/h8,10H,3-7,12H2,1-2H3,(H,13,15)/t8-,10-/m0/s1.
What are the key properties of N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 227.31 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 96554565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).