(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide

C8H16N2O2 — CID 61145996

IUPAC(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
SMILESC[C@H](N)C(=O)NCC1CCCO1
InChIInChI=1S/C8H16N2O2/c1-6(9)8(11)10-5-7-3-2-4-12-7/h6-7H,2-5,9H2,1H3,(H,10,11)/t6-,7?/m0/s1
InChIKeyZFXASOMNGMTSDY-PKPIPKONSA-N
MW172.23 g/mol
LogP-0.37
Rot. Bonds3

About (2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide

(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 61145996) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
PubChem CID61145996
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
SMILESC[C@H](N)C(=O)NCC1CCCO1
InChIInChI=1S/C8H16N2O2/c1-6(9)8(11)10-5-7-3-2-4-12-7/h6-7H,2-5,9H2,1H3,(H,10,11)/t6-,7?/m0/s1
InChIKeyZFXASOMNGMTSDY-PKPIPKONSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
CID 62472979
(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 94882952
methyl (2S)-2-methyl-4-oxo-4-[[(2S)-oxolan-2-yl]methylamino]butanoate
CID 97019343
4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide
CID 80543915
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide (CID 61145996) is (2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide is C[C@H](N)C(=O)NCC1CCCO1.
What is the InChIKey of (2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is ZFXASOMNGMTSDY-PKPIPKONSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(9)8(11)10-5-7-3-2-4-12-7/h6-7H,2-5,9H2,1H3,(H,10,11)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide?
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 172.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 61145996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).