(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide

C14H28N2O — CID 79363377

IUPAC(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C14H28N2O/c1-7-9(2)11(15)12(17)16-8-10-13(3,4)14(10,5)6/h9-11H,7-8,15H2,1-6H3,(H,16,17)/t9-,11-/m0/s1
InChIKeyQXDZSBSJROQEKU-ONGXEEELSA-N
MW240.39 g/mol
LogP2.16
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide (PubChem CID 79363377) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
PubChem CID79363377
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C14H28N2O/c1-7-9(2)11(15)12(17)16-8-10-13(3,4)14(10,5)6/h9-11H,7-8,15H2,1-6H3,(H,16,17)/t9-,11-/m0/s1
InChIKeyQXDZSBSJROQEKU-ONGXEEELSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 115738399
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79358044
(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
CID 67292005
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79358528
(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
CID 103833324

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide (CID 79363377) is (2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The InChIKey is QXDZSBSJROQEKU-ONGXEEELSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-9(2)11(15)12(17)16-8-10-13(3,4)14(10,5)6/h9-11H,7-8,15H2,1-6H3,(H,16,17)/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 79363377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).