N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide

C13H27N3O2 — CID 115356372

IUPACN-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNCC(O)CN1CCCC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)15-12(18)9-14-8-11(17)10-16-6-4-5-7-16/h11,14,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyZHMKITWUUCEKFY-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.05
Rot. Bonds6

About N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide

N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide (PubChem CID 115356372) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide
PubChem CID115356372
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNCC(O)CN1CCCC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)15-12(18)9-14-8-11(17)10-16-6-4-5-7-16/h11,14,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyZHMKITWUUCEKFY-UHFFFAOYSA-N
XLogP-0.05
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-N-methylacetamide
CID 60901241
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599
N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858980
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol
CID 65111953
N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
CID 106990312
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-1-ol
CID 60909717
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 112685123
2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
CID 103260238
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol
CID 66106831

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide (CID 115356372) is N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide is CC(C)(C)NC(=O)CNCC(O)CN1CCCC1.
What is the InChIKey of N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide?
The InChIKey is ZHMKITWUUCEKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,3)15-12(18)9-14-8-11(17)10-16-6-4-5-7-16/h11,14,17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide?
N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide has a molecular weight of 257.38 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide is sourced from PubChem (CID 115356372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).