(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide

C12H24N2O — CID 81392560

IUPAC(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
SMILESC[C@H](N)C(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C12H24N2O/c1-9(13)12(15)14-10(2)11-7-5-3-4-6-8-11/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyZBDFFAXQJBCMHK-VHSXEESVSA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds3

About (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide

(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide (PubChem CID 81392560) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
PubChem CID81392560
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
SMILESC[C@H](N)C(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C12H24N2O/c1-9(13)12(15)14-10(2)11-7-5-3-4-6-8-11/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyZBDFFAXQJBCMHK-VHSXEESVSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
(2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390017
(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
CID 119338014
2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
CID 103930317
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid
CID 15351769
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide (CID 81392560) is (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide is C[C@H](N)C(=O)N[C@H](C)C1CCCCCC1.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide?
The InChIKey is ZBDFFAXQJBCMHK-VHSXEESVSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(13)12(15)14-10(2)11-7-5-3-4-6-8-11/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,10+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide?
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide is sourced from PubChem (CID 81392560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).