(2S)-5-amino-N-cyclopropyloxane-2-carboxamide

C9H16N2O2 — CID 163824918

IUPAC(2S)-5-amino-N-cyclopropyloxane-2-carboxamide
SMILESNC1CC[C@@H](C(=O)NC2CC2)OC1
InChIInChI=1S/C9H16N2O2/c10-6-1-4-8(13-5-6)9(12)11-7-2-3-7/h6-8H,1-5,10H2,(H,11,12)/t6?,8-/m0/s1
InChIKeyNYQDYANMCFXXPQ-XDKWHASVSA-N
MW184.24 g/mol
LogP-0.23
Rot. Bonds2

About (2S)-5-amino-N-cyclopropyloxane-2-carboxamide

(2S)-5-amino-N-cyclopropyloxane-2-carboxamide (PubChem CID 163824918) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-5-amino-N-cyclopropyloxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-amino-N-cyclopropyloxane-2-carboxamide
PubChem CID163824918
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-5-amino-N-cyclopropyloxane-2-carboxamide
SMILESNC1CC[C@@H](C(=O)NC2CC2)OC1
InChIInChI=1S/C9H16N2O2/c10-6-1-4-8(13-5-6)9(12)11-7-2-3-7/h6-8H,1-5,10H2,(H,11,12)/t6?,8-/m0/s1
InChIKeyNYQDYANMCFXXPQ-XDKWHASVSA-N
XLogP-0.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-N-cyclopropyloxane-2-carboxamide?
The IUPAC name of (2S)-5-amino-N-cyclopropyloxane-2-carboxamide (CID 163824918) is (2S)-5-amino-N-cyclopropyloxane-2-carboxamide.
What is the SMILES notation for (2S)-5-amino-N-cyclopropyloxane-2-carboxamide?
The canonical SMILES for (2S)-5-amino-N-cyclopropyloxane-2-carboxamide is NC1CC[C@@H](C(=O)NC2CC2)OC1.
What is the InChIKey of (2S)-5-amino-N-cyclopropyloxane-2-carboxamide?
The InChIKey is NYQDYANMCFXXPQ-XDKWHASVSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-6-1-4-8(13-5-6)9(12)11-7-2-3-7/h6-8H,1-5,10H2,(H,11,12)/t6?,8-/m0/s1.
What are the key properties of (2S)-5-amino-N-cyclopropyloxane-2-carboxamide?
(2S)-5-amino-N-cyclopropyloxane-2-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-N-cyclopropyloxane-2-carboxamide is sourced from PubChem (CID 163824918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).