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

C10H18N2O3 — CID 67663006

IUPAC[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C10H18N2O3/c1-7(11)10(14)12-5-3-9(4-6-12)15-8(2)13/h7,9H,3-6,11H2,1-2H3/t7-/m0/s1
InChIKeyZFEZEDDTUMABAM-ZETCQYMHSA-N
MW214.26 g/mol
LogP-0.11
Rot. Bonds2

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

[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate (PubChem CID 67663006) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is [1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
PubChem CID67663006
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C10H18N2O3/c1-7(11)10(14)12-5-3-9(4-6-12)15-8(2)13/h7,9H,3-6,11H2,1-2H3/t7-/m0/s1
InChIKeyZFEZEDDTUMABAM-ZETCQYMHSA-N
XLogP-0.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one
CID 119337266
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 119337265
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
[1-(1-fluoroethyl)piperidin-4-yl] acetate
CID 174500944
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
CID 119321485
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479

Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate?
The IUPAC name of [1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate (CID 67663006) is [1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate.
What is the SMILES notation for [1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate?
The canonical SMILES for [1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate is CC(=O)OC1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of [1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate?
The InChIKey is ZFEZEDDTUMABAM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(11)10(14)12-5-3-9(4-6-12)15-8(2)13/h7,9H,3-6,11H2,1-2H3/t7-/m0/s1.
What are the key properties of [1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate?
[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate has a molecular weight of 214.26 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate is sourced from PubChem (CID 67663006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).