(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride

C12H25ClN2O2 — CID 119344063

IUPAC(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
SMILESCC(C)C1OCCCC1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-8(2)11-10(5-4-6-16-11)7-14-12(15)9(3)13;/h8-11H,4-7,13H2,1-3H3,(H,14,15);1H/t9-,10?,11?;/m0./s1
InChIKeyUQPPYVOZOKXHJL-IGUXDCQPSA-N
MW264.80 g/mol
LogP1.32
Rot. Bonds4

About (2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride

(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride (PubChem CID 119344063) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
PubChem CID119344063
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
SMILESCC(C)C1OCCCC1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-8(2)11-10(5-4-6-16-11)7-14-12(15)9(3)13;/h8-11H,4-7,13H2,1-3H3,(H,14,15);1H/t9-,10?,11?;/m0./s1
InChIKeyUQPPYVOZOKXHJL-IGUXDCQPSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
CID 120502254
(2S)-2-amino-3,3-dimethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide;hydrochloride
CID 119819182
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120937132
3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119819562

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride (CID 119344063) is (2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride is CC(C)C1OCCCC1CNC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride?
The InChIKey is UQPPYVOZOKXHJL-IGUXDCQPSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-8(2)11-10(5-4-6-16-11)7-14-12(15)9(3)13;/h8-11H,4-7,13H2,1-3H3,(H,14,15);1H/t9-,10?,11?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.32, 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-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119344063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).