(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide

C9H18N2O3 — CID 57364810

IUPAC(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide
SMILESNC(=O)[C@@H](N)CCCC1OCCCO1
InChIInChI=1S/C9H18N2O3/c10-7(9(11)12)3-1-4-8-13-5-2-6-14-8/h7-8H,1-6,10H2,(H2,11,12)/t7-/m0/s1
InChIKeyAISZJZIDUDFEPI-ZETCQYMHSA-N
MW202.25 g/mol
LogP-0.27
Rot. Bonds5

About (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide

(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide (PubChem CID 57364810) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide
PubChem CID57364810
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide
SMILESNC(=O)[C@@H](N)CCCC1OCCCO1
InChIInChI=1S/C9H18N2O3/c10-7(9(11)12)3-1-4-8-13-5-2-6-14-8/h7-8H,1-6,10H2,(H2,11,12)/t7-/m0/s1
InChIKeyAISZJZIDUDFEPI-ZETCQYMHSA-N
XLogP-0.27
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide (CID 57364810) is (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide is NC(=O)[C@@H](N)CCCC1OCCCO1.
What is the InChIKey of (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide?
The InChIKey is AISZJZIDUDFEPI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O3/c10-7(9(11)12)3-1-4-8-13-5-2-6-14-8/h7-8H,1-6,10H2,(H2,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide?
(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide has a molecular weight of 202.25 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide is sourced from PubChem (CID 57364810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).