(2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide

C11H20N2O2 — CID 177043348

IUPAC(2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide
SMILESN[C@@H](CC1CCCOC1)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O2/c12-10(11(14)13-9-3-4-9)6-8-2-1-5-15-7-8/h8-10H,1-7,12H2,(H,13,14)/t8?,10-/m0/s1
InChIKeyVZYMRTJWIPHXGM-HTLJXXAVSA-N
MW212.29 g/mol
LogP0.41
Rot. Bonds4

About (2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide

(2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide (PubChem CID 177043348) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide
PubChem CID177043348
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide
SMILESN[C@@H](CC1CCCOC1)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O2/c12-10(11(14)13-9-3-4-9)6-8-2-1-5-15-7-8/h8-10H,1-7,12H2,(H,13,14)/t8?,10-/m0/s1
InChIKeyVZYMRTJWIPHXGM-HTLJXXAVSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide (CID 177043348) is (2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide is N[C@@H](CC1CCCOC1)C(=O)NC1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide?
The InChIKey is VZYMRTJWIPHXGM-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-10(11(14)13-9-3-4-9)6-8-2-1-5-15-7-8/h8-10H,1-7,12H2,(H,13,14)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide?
(2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide is sourced from PubChem (CID 177043348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).