N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide

C13H26N2O2 — CID 114147359

IUPACN-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
SMILESCC(NCC1CCC(O)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-9(12(17)15-13(2,3)4)14-8-10-5-6-11(16)7-10/h9-11,14,16H,5-8H2,1-4H3,(H,15,17)
InChIKeyPTNDVUQVYXKFRZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds4

About N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide

N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide (PubChem CID 114147359) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
PubChem CID114147359
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
SMILESCC(NCC1CCC(O)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-9(12(17)15-13(2,3)4)14-8-10-5-6-11(16)7-10/h9-11,14,16H,5-8H2,1-4H3,(H,15,17)
InChIKeyPTNDVUQVYXKFRZ-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
CID 106129954
N-tert-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 55210335
N-tert-butyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide
CID 54914501
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54905939
3-[(1-cyclopropylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271439
N-cyclopentyl-2-[(3-hydroxycyclohexyl)methylamino]propanamide
CID 106132630
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
CID 106137756
N-cyclopropyl-2-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 114147898
2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide
CID 114147705
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide
CID 106131934
N-tert-butyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propanamide
CID 79358046

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide (CID 114147359) is N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide is CC(NCC1CCC(O)C1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide?
The InChIKey is PTNDVUQVYXKFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(12(17)15-13(2,3)4)14-8-10-5-6-11(16)7-10/h9-11,14,16H,5-8H2,1-4H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide?
N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide is sourced from PubChem (CID 114147359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).