N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide

C12H24N2O2 — CID 102733998

IUPACN-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
SMILESCC(N[C@H]1CCC[C@@H]1O)C(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-8(11(16)14-12(2,3)4)13-9-6-5-7-10(9)15/h8-10,13,15H,5-7H2,1-4H3,(H,14,16)/t8?,9-,10-/m0/s1
InChIKeyCUBSZVDKCZYZLB-AGROOBSYSA-N
MW228.34 g/mol
LogP0.79
Rot. Bonds3

About N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide

N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide (PubChem CID 102733998) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
PubChem CID102733998
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
SMILESCC(N[C@H]1CCC[C@@H]1O)C(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-8(11(16)14-12(2,3)4)13-9-6-5-7-10(9)15/h8-10,13,15H,5-7H2,1-4H3,(H,14,16)/t8?,9-,10-/m0/s1
InChIKeyCUBSZVDKCZYZLB-AGROOBSYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(2-methoxycyclopentyl)amino]propanamide
CID 62086267
N-carbamoyl-2-[(2-hydroxycyclohexyl)amino]propanamide
CID 62359652
N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337032
N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide
CID 63995714
N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
CID 102734004
2-[(2-hydroxycyclohexyl)amino]-N,N-dimethylpropanamide
CID 61464464
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
CID 102731613
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
CID 104828064
trans-(1R,2R)-2-[[(2S)-3-methylbutan-2-yl]amino]cyclopentan-1-ol
CID 167275295
trans-(1S,2S)-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 102733069
2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 65337848

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide (CID 102733998) is N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide is CC(N[C@H]1CCC[C@@H]1O)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide?
The InChIKey is CUBSZVDKCZYZLB-AGROOBSYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(11(16)14-12(2,3)4)13-9-6-5-7-10(9)15/h8-10,13,15H,5-7H2,1-4H3,(H,14,16)/t8?,9-,10-/m0/s1.
What are the key properties of N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide?
N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide is sourced from PubChem (CID 102733998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).