(2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide

C11H20N2O2 — CID 129498740

IUPAC(2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide
SMILESC[C@H](N)C(=O)N(C1CCOCC1)C1CC1
InChIInChI=1S/C11H20N2O2/c1-8(12)11(14)13(9-2-3-9)10-4-6-15-7-5-10/h8-10H,2-7,12H2,1H3/t8-/m0/s1
InChIKeyIOFHKCJLQRYDNA-QMMMGPOBSA-N
MW212.29 g/mol
LogP0.50
Rot. Bonds3

About (2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide

(2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide (PubChem CID 129498740) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide
PubChem CID129498740
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide
SMILESC[C@H](N)C(=O)N(C1CCOCC1)C1CC1
InChIInChI=1S/C11H20N2O2/c1-8(12)11(14)13(9-2-3-9)10-4-6-15-7-5-10/h8-10H,2-7,12H2,1H3/t8-/m0/s1
InChIKeyIOFHKCJLQRYDNA-QMMMGPOBSA-N
XLogP0.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-methyl-N-(oxan-4-yl)propanamide
CID 110873026
(2S)-2-amino-N-cyclopropyl-N-(thian-4-yl)propanamide
CID 129496583
(2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride
CID 119294790
2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257
(2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide
CID 129498676
2-chloro-N-ethyl-N-(oxan-4-yl)propanamide
CID 121203502
(2S)-2-amino-N-cyclopropyl-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]propanamide
CID 96553456
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
(2R)-2-amino-N,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 82738595
(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)propanamide
CID 61146341
3-amino-N,2-dimethyl-N-(oxolan-3-yl)butanamide;hydrochloride
CID 120500471
2-[methyl(oxan-4-yl)amino]pentan-3-one
CID 64868191

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide (CID 129498740) is (2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide is C[C@H](N)C(=O)N(C1CCOCC1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide?
The InChIKey is IOFHKCJLQRYDNA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(12)11(14)13(9-2-3-9)10-4-6-15-7-5-10/h8-10H,2-7,12H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide?
(2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 129498740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).