1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid

C10H18N2O3 — CID 78996683

IUPAC1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
SMILESC[C@@H](N)C(=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(11)9(13)12-6-4-2-3-5-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8?/m1/s1
InChIKeyMXENFNPCQLKJSQ-GVHYBUMESA-N
MW214.26 g/mol
LogP0.19
Rot. Bonds2

About 1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid

1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid (PubChem CID 78996683) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
PubChem CID78996683
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
SMILESC[C@@H](N)C(=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(11)9(13)12-6-4-2-3-5-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8?/m1/s1
InChIKeyMXENFNPCQLKJSQ-GVHYBUMESA-N
XLogP0.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 12718469
1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
1-[(2R)-2-amino-4-methylpentanoyl]azepane-2-carboxylic acid
CID 103871063
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
CID 66263946
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
(2R)-1-(2-cyclopropylpropanoyl)piperidine-2-carboxylic acid
CID 83146744
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid
CID 54342088

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid?
The IUPAC name of 1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid (CID 78996683) is 1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid is C[C@@H](N)C(=O)N1CCCCCC1C(=O)O.
What is the InChIKey of 1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid?
The InChIKey is MXENFNPCQLKJSQ-GVHYBUMESA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(11)9(13)12-6-4-2-3-5-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8?/m1/s1.
What are the key properties of 1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid?
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid is sourced from PubChem (CID 78996683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).