(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide

C14H24N2O — CID 113315069

IUPAC(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C14H24N2O/c1-3-7(2)12(15)14(17)16-13-10-8-4-5-9(6-8)11(10)13/h7-13H,3-6,15H2,1-2H3,(H,16,17)/t7?,8?,9?,10?,11?,12-,13?/m0/s1
InChIKeyNNPYXCPMKHDXLM-RDPUBONTSA-N
MW236.36 g/mol
LogP1.52
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide

(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide (PubChem CID 113315069) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide
PubChem CID113315069
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C14H24N2O/c1-3-7(2)12(15)14(17)16-13-10-8-4-5-9(6-8)11(10)13/h7-13H,3-6,15H2,1-2H3,(H,16,17)/t7?,8?,9?,10?,11?,12-,13?/m0/s1
InChIKeyNNPYXCPMKHDXLM-RDPUBONTSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide
CID 103798202
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 61180289
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 106114303
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
CID 54863095

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide (CID 113315069) is (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide is CCC(C)[C@H](N)C(=O)NC1C2C3CCC(C3)C12.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide?
The InChIKey is NNPYXCPMKHDXLM-RDPUBONTSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-7(2)12(15)14(17)16-13-10-8-4-5-9(6-8)11(10)13/h7-13H,3-6,15H2,1-2H3,(H,16,17)/t7?,8?,9?,10?,11?,12-,13?/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide?
(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide has a molecular weight of 236.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide is sourced from PubChem (CID 113315069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).