N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide

C10H22N2O2 — CID 106932485

IUPACN-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
SMILESC[C@@H](O)CNCCC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-8(13)7-11-6-5-9(14)12-10(2,3)4/h8,11,13H,5-7H2,1-4H3,(H,12,14)/t8-/m1/s1
InChIKeyQNOKPOWYMPTJKV-MRVPVSSYSA-N
MW202.30 g/mol
LogP0.26
Rot. Bonds5

About N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide

N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide (PubChem CID 106932485) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
PubChem CID106932485
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
SMILESC[C@@H](O)CNCCC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-8(13)7-11-6-5-9(14)12-10(2,3)4/h8,11,13H,5-7H2,1-4H3,(H,12,14)/t8-/m1/s1
InChIKeyQNOKPOWYMPTJKV-MRVPVSSYSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide 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

N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 115605400
N-tert-butyl-3-(2-methylbutylamino)propanamide
CID 115887441
N-tert-butyl-3-(2-ethylbutylamino)propanamide
CID 115756724
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338
3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide
CID 107263051
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111
N,N'-ditert-butylhexanediamide
CID 3593481
1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
CID 114811352
N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide
CID 114223914
(2S,3R)-2-[[3-(tert-butylamino)-3-oxopropyl]carbamoylamino]-3-hydroxybutanoic acid
CID 104966552
N-tert-butyl-3-(4-methoxybutylamino)propanamide
CID 115605378

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide?
The IUPAC name of N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide (CID 106932485) is N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide is C[C@@H](O)CNCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide?
The InChIKey is QNOKPOWYMPTJKV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(13)7-11-6-5-9(14)12-10(2,3)4/h8,11,13H,5-7H2,1-4H3,(H,12,14)/t8-/m1/s1.
What are the key properties of N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide?
N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide has a molecular weight of 202.30 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide is sourced from PubChem (CID 106932485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).